SCHEMBL8465276

SCHEMBL8465276

COc1ccc2c(c1)C(=O)/C(=C/c1ccccn1)CO2

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.68
MAPT P10636 7/20 0.68
SMN1; SMN2 Q16637 3/20 0.68
ATM Q13315 2/20 0.68
NPC1 O15118 3/20 0.64
RAB9A P51151 3/20 0.64
KMT2A Q03164 2/20 0.64
MEN1 O00255 1/20 0.64
ALDH1A1 P00352 5/20 0.56
KDM4E B2RXH2 3/20 0.56
TDP1 Q9NUW8 2/20 0.56
HPGD P15428 2/20 0.56
GAA P10253 1/20 0.56
ALOX12 P18054 1/20 0.56
APP P05067 3/20 0.55
RECQL P46063 1/20 0.51
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
CYP3A4 P08684 2/20 0.48

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
SCHEMBL8465279 1.00 MAOB (0.68) MAOBMAPTSMN1; SMN2ATMNPC1
SCHEMBL8466221 0.82 MAOB (0.73) MAOBMAPTSMN1; SMN2ATMNPC1
SCHEMBL8466218 0.82 MAOB (0.73) MAOBMAPTSMN1; SMN2ATMNPC1
SCHEMBL14552634 0.82 MAOB (0.68) MAOBMAPTSMN1; SMN2ATMNPC1
SCHEMBL14480570 0.80 MAOB (0.59) MAOBMAPTSMN1; SMN2ATMNPC1
SCHEMBL14480572 0.80 MAOB (0.59) MAOBMAPTSMN1; SMN2ATMNPC1
SCHEMBL8466054 0.80 APP (0.67) MAOBMAPTSMN1; SMN2ALDH1A1APP
SCHEMBL6295643 0.80 MEN1 (0.71) MAOBNPC1RAB9AKMT2AMEN1
SCHEMBL8466055 0.80 APP (0.67) MAOBMAPTSMN1; SMN2ALDH1A1APP
SCHEMBL9324227 0.79 MAOB (0.67) MAOBMAPTSMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5998451-A LIPOXYGENASE INHIBITORS PFIZER INC (US) 1999-12-07 US disclosed
EP-0313295-B1 SUBSTITUTED TETRALINS, CHROMANS AND RELATED COMPOUNDS IN THE TREATMENT OF ASTHMA, ARTHRITIS AND RELATED DISEASES PFIZER INC. (US) 1993-07-28 EP disclosed
US-5059609-A Lipoxygenase inhibitors; leukotriene receptor blockers; psoriasis; antiulcer agents and myocardial infarctions PFIZER INC. (US) 1991-10-22 US disclosed
EP-0313295-A2 Substituted tetralins, chromans and related compounds in the treatment of asthma, arthritis and related diseases PFIZER INC. (US) 1989-04-26 EP disclosed