SCHEMBL891378

SCHEMBL891378

COc1cc2c(c3c[n+](C)c4c5cc6c(cc5ccc4c13)OCO6)OCO2

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 9/20 0.65
ALDH1A1 P00352 6/20 0.65
MAPT P10636 6/20 0.65
HPGD P15428 6/20 0.65
SMN1; SMN2 Q16637 6/20 0.65
MAPK1 P28482 5/20 0.65
KMT2A Q03164 5/20 0.65
MEN1 O00255 4/20 0.65
BCHE P06276 3/20 0.65
ACHE P22303 3/20 0.65
TP53 P04637 3/20 0.65
CYP3A4 P08684 3/20 0.65
ALOX15 P16050 3/20 0.65
ALOX12 P18054 3/20 0.65
HSD17B10 Q99714 3/20 0.65
NPC1 O15118 2/20 0.65
USP2 O75604 2/20 0.65
CYP1A2 P05177 2/20 0.65
CYP2D6 P10635 2/20 0.65
CYP2C9 P11712 2/20 0.65

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL891377 0.99 TDP1 (0.66) TDP1ALDH1A1MAPTHPGDSMN1; SMN2
Hydrochloric Acid SCHEMBL9651298 0.98 ALDH1A1 (0.65) TDP1ALDH1A1MAPTHPGDSMN1; SMN2
Hydrochloric Acid SCHEMBL4261974 0.92 ALDH1A1 (0.57) TDP1ALDH1A1MAPTHPGDSMN1; SMN2
Hydrochloric Acid SCHEMBL9651229 0.91 ALDH1A1 (0.56) TDP1ALDH1A1MAPTHPGDSMN1; SMN2
Sanguinarium SCHEMBL9651303 0.91 BAD (0.70) TDP1ALDH1A1MAPTHPGDSMN1; SMN2
Chelerythrine SCHEMBL9651282 0.89 ALDH1A1 (0.75) TDP1ALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL29353594 0.87 ALDH1A1 (0.48) TDP1ALDH1A1MAPTHPGDSMN1; SMN2
Hydrochloric Acid SCHEMBL4313884 0.85 ALDH1A1 (0.76) TDP1ALDH1A1MAPTHPGDSMN1; SMN2
Chelerythrine SCHEMBL28629157 0.80 ALDH1A1 (0.88) TDP1ALDH1A1MAPTHPGDSMN1; SMN2
Sanguinarium SCHEMBL23524622 0.79 BAD (1.00) TDP1ALDH1A1MAPTHPGDSMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 154 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3906923-A1 COMPOSITION AND METHOD FOR TREATING COVID-19 WITH ISOQUINOLINE ALKALOID Phytobiotics Futterzusatzstoffe GmbH (DE) 2021-11-10 EP claimed
US-20090222957-A1 REGULATORY PROTEIN-REGULATORY REGION ASSOCIATIONS RELATED TO ALKALOID BIOSYNTHESIS CERES INC. (US) 2009-09-03 US claimed
EP-1866418-A2 MODULATING PLANT ALKALOIDS Ceres Inc. (US) 2007-12-19 EP claimed
WO-2007117693-A2 REGULATORY PROTEIN-REGULATORY REGION ASSOCIATIONS RELATED TO ALKALOID BIOSYNTHESIS CERES, INC. (US) 2007-10-18 WO claimed
EP-1833839-A1 QUATERNARY ALKALOID DERIVATIVES OF CHELIDONIUM MAJUS L Nowicky, Wassyl (AT) 2007-09-19 EP claimed
WO-2006113481-A1 SECONDARY METABOLITE PRODUCTION VIA MANIPULATION OF GENOME METHYLATION CERES INC. (US) 2006-10-26 WO claimed
US-20060236421-A1 Secondary metabolite production via manipulation of genome methylation CERES, INC. 2006-10-19 US claimed
WO-2006091676-A2 MODULATING PLANT ALKALOIDS CERES INC. (US) 2006-08-31 WO claimed
WO-2006032380-A1 QUATERNARY ALKALOID DERIVATIVES OF CHELIDONIUM MAJUS L NOWICKY WASSILI (AT) 2006-03-30 WO claimed
EP-0581926-B1 ANIMAL FEEDSTUFF FOR GROWTH INCREASE NEUFELD KLAUS (AT) 1996-09-11 EP claimed
WO-1992000104-A1 MUCOSAL DELIVERY SYSTEMS FOR TREATMENT OF PERIODONTAL DISEASE ATRIX LABORATORIES, INC. (US) 1992-01-09 WO claimed
US-5073368-A Including a surfactant mixture of an amidobetaine and an ethylene oxide-propylene oxide copolymer COLGATE-PALMOLIVE COMPANY (US) 1991-12-17 US claimed
US-5066483-A Benzophenanthridine alkaloids, buffer; stability; mouthwashes; plaque VIPONT PHARMACEUTICAL, INC. (US) 1991-11-19 US claimed
WO-1991007391-A1 PURIFICATION OF BENZOPHENANTHRIDINE ALKALOIDS FROM ALKALOID EXTRACTS ATRIX LABORATORIES, INC. (US) 1991-05-30 WO claimed
US-5013553-A Drug delivery devices VIPONT PHARMACEUTICAL, INC. (US) 1991-05-07 US claimed
WO-1991000728-A1 BENZOPHENANTHRIDINE ALKALOIDS FOR TOPICAL ACNE TREATMENT ATRIX LABORATORIES, INC. (US) 1991-01-24 WO claimed
EP-0396232-A2 Oral rinse compositions VIPONT PHARMACEUTICAL, INC. (US) 1990-11-07 EP claimed
EP-0297535-A2 Drug delivery devices VIPONT PHARMACEUTICAL, INC. (US) 1989-01-04 EP claimed
US-4769452-A Production of purity benzo-c-phenanthridine alkaloid salts VIPONT LABORATORIES, INC. (US) 1988-09-06 US claimed
US-4767861-A Recovery of benzo-c-phenanthridine alkaloids VIPONT LABORATORIES (US) 1988-08-30 US claimed