SCHEMBL9861869

SCHEMBL9861869

C#Cc1ccc(N=Nc2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.57
MAPT P10636 5/20 0.50
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
RAB9A P51151 3/20 0.50
NPC1 O15118 2/20 0.50
PKM P14618 1/20 0.50
HTT P42858 1/20 0.50
MAPK1 P28482 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
TRPA1 O75762 2/20 0.45
TSHR P16473 1/20 0.45
HSD17B10 Q99714 1/20 0.45
KDM4E B2RXH2 1/20 0.42
HSP90AA1 P07900 1/20 0.42
POLB P06746 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP19A1 P11511 1/20 0.40
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39

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
SCHEMBL9861852 1.00 ALDH1A1 (0.57) ALDH1A1MAPTMEN1KMT2ARAB9A
SCHEMBL137428 0.90 HDAC8 (0.43) ALDH1A1MAPTMEN1KMT2ARAB9A
SCHEMBL137429 0.90 HDAC8 (0.43) ALDH1A1MAPTMEN1KMT2ARAB9A
SCHEMBL669080 0.82 ALDH1A1 (0.52) ALDH1A1MAPTMEN1KMT2ARAB9A
SCHEMBL669079 0.82 ALDH1A1 (0.52) ALDH1A1MAPTMEN1KMT2ARAB9A
SCHEMBL14123783 0.79 NPC1 (0.45) ALDH1A1MAPTMEN1KMT2ARAB9A
SCHEMBL21024214 0.79 ALDH1A1 (0.92) ALDH1A1MAPTMEN1KMT2ARAB9A
SCHEMBL21023910 0.79 ALDH1A1 (0.92) ALDH1A1MAPTMEN1KMT2ARAB9A
SCHEMBL90893 0.79 ALDH1A1 (0.92) ALDH1A1MAPTMEN1KMT2ARAB9A
SCHEMBL2239365 0.79 ALDH1A1 (0.92) ALDH1A1MAPTMEN1KMT2ARAB9A

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4070333-A AROMATIZATION CATALYST, ADDITION POLYMERIZATION HERCULES INCORPORATED (US) 1978-01-24 US claimed
WO-1991009066-A1 HIGH CARBON RESINS AND FOAMS HYPERION CATALYSIS INTERNATIONAL, INC. (US) 1991-06-27 WO disclosed
EP-0095048-B1 OLIGOMER COATED ELECTRONIC CIRCUIT COMPONENT AND METHOD OF COATING International Business Machines Corporation (US) 1988-11-30 EP disclosed
US-4690962-A BLEND OF ACETYLENIC OLIGOMER WITH PLASTICIZER AND TOUGHNESS AGENTS INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 1987-09-01 US disclosed
US-4592944-A Integrated circuit chip sealed with a protective coating INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 1986-06-03 US disclosed
EP-0095048-A2 Oligomer coated electronic circuit component and method of coating International Business Machines Corporation (US) 1983-11-30 EP disclosed
EP-0000385-A1 Thermosetting compositions based on polyarylacetylenes and substituted polyphenylene oxides and resins obtained by curing them HERCULES INCORPORATED (US) 1979-01-24 EP disclosed
US-4097460-A DIPHENYLACETYLENE, DIPHENYLBUTADIYNE, MOLDING MATERIALS FOR HIGH TEMPERATURE APPLICATIONS HERCULES INCORPORATED (US) 1978-06-27 US disclosed
US-3993711-A THERMOSETTING RESINS; COUPLING AGENTS; CARBOXYLATED PREPOLYMER HERCULES INCORPORATED (US) 1976-11-23 US disclosed