SCHEMBL6960928

SCHEMBL6960928

COc1ccc2c(c1)N(C(=O)CC(C)=O)CC2

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BIRC2 Q13490 2/20 0.58
NOTUM Q6P988 3/20 0.57
SMN1; SMN2 Q16637 7/20 0.53
RAB9A P51151 6/20 0.53
MAPT P10636 6/20 0.51
NPC1 O15118 4/20 0.51
MAPK1 P28482 1/20 0.51
ALDH1A1 P00352 2/20 0.48
PKM P14618 1/20 0.48
NFKB1 P19838 1/20 0.48
MAOB P27338 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
TP53 P04637 2/20 0.47
THRB P10828 1/20 0.47
HDAC1 Q13547 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
ROCK1 Q13464 1/20 0.45
HTT P42858 1/20 0.45
LMNA P02545 3/20 0.44

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
SCHEMBL27165463 0.85 BIRC2 (0.60) BIRC2NOTUMSMN1; SMN2RAB9AMAPT
SCHEMBL2208006 0.84 NOTUM (0.78) BIRC2NOTUMSMN1; SMN2RAB9AMAPT
SCHEMBL27165447 0.83 BIRC2 (0.57) BIRC2NOTUMSMN1; SMN2RAB9AMAPT
SCHEMBL6962584 0.83 BIRC2 (0.57) BIRC2NOTUMSMN1; SMN2RAB9AMAPT
SCHEMBL7984550 0.81 NOTUM (0.60) BIRC2NOTUMSMN1; SMN2RAB9AMAPT
SCHEMBL30912010 0.81 NOTUM (0.57) BIRC2NOTUMSMN1; SMN2RAB9AMAPT
SCHEMBL6970556 0.81 XIAP (0.57) NOTUMSMN1; SMN2RAB9AMAPTNPC1
SCHEMBL416024 0.81 BIRC2 (0.55) BIRC2NOTUMSMN1; SMN2RAB9AMAPT
SCHEMBL26691241 0.80 NOTUM (0.58) BIRC2NOTUMSMN1; SMN2RAB9AMAPT
SCHEMBL30911987 0.80 BIRC2 (0.54) BIRC2NOTUMSMN1; SMN2RAB9AMAPT

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
EP-0807631-B1 Tricyclic compounds having fungicidal activity, their preparation and their use SANKYO CO (JP) 2003-03-12 EP disclosed
US-5981752-A Tricyclic compounds having fungicidal activity, their preparation and their use SANKYO COMPANY, LIMITED (JP) 1999-11-09 US disclosed
US-5773618-A PYRROLOQUINOLINONE DERIVATIVES SANKYO COMPANY, LIMITED (JP) 1998-06-30 US disclosed
EP-0807631-A1 Tricyclic compounds having fungicidal activity, their preparation and their use SANKYO COMPANY LIMITED (JP) 1997-11-19 EP disclosed