SCHEMBL8987259

SCHEMBL8987259

Cc1csc(-c2cc(-c3ccccc3)[nH]c(=O)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS2R38 P59533 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.42
KDM4E B2RXH2 7/20 0.41
HPGD P15428 4/20 0.41
MAPT P10636 3/20 0.41
HSD17B10 Q99714 3/20 0.41
LMNA P02545 2/20 0.41
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
RAB9A P51151 1/20 0.41
NOTUM Q6P988 1/20 0.41
GAA P10253 6/20 0.39
ALDH1A1 P00352 4/20 0.39
KMT2A Q03164 1/20 0.39
PIK3C3 Q8NEB9 2/20 0.39
CYP3A4 P08684 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
POLB P06746 1/20 0.38
CYP2C9 P11712 1/20 0.38

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
SCHEMBL4408790 0.77 TAS2R38 (0.47) TAS2R38SMN1; SMN2KDM4EHPGDMAPT
SCHEMBL72613 0.77 AR (0.43) SMN1; SMN2HPGDLMNANPC1RAB9A
SCHEMBL8799713 0.76 HPGD (0.51) TAS2R38SMN1; SMN2KDM4EHPGDMAPT
SCHEMBL8987066 0.76 HPGD (0.51) TAS2R38SMN1; SMN2KDM4EHPGDMAPT
SCHEMBL5907056 0.76 TAS2R38 (0.56) TAS2R38SMN1; SMN2KDM4EHPGDMAPT
SCHEMBL8987272 0.75 NOTUM (0.50) TAS2R38SMN1; SMN2KDM4EHPGDMAPT
SCHEMBL6756097 0.75 TAS2R38 (0.60) TAS2R38SMN1; SMN2KDM4EHPGDMAPT
SCHEMBL8987056 0.69 CYP1A2 (0.56) SMN1; SMN2KDM4EHPGDMAPTHSD17B10
SCHEMBL7093334 0.69 KDM4E (0.46) SMN1; SMN2KDM4EHPGDMAPTHSD17B10
SCHEMBL8799476 0.68 KDM4E (0.44) TAS2R38KDM4EHPGDMAPTRAB9A

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-5492915-A ANTIINFLAMMATORY AGENTS RHONE-POULENC RORER S.A. (FR) 1996-02-20 US disclosed
US-5366982-A Antiinflammatory agents or antihistamines RHONE-POULENC RORER S.A. (FR) 1994-11-22 US disclosed
EP-0540604-A1 SUBSTITUTED BICYCLIC BIS-ARYL COMPOUNDS EXHIBITING SELECTIVE LEUKOTRIENE B 4? ANTAGONIST ACTIVITY, THEIR PREPARATION AND USE IN PHARMACEUTICAL COMPOSITIONS Aventis Pharma S.A. (FR) 1993-05-12 EP disclosed
WO-1992001675-A2 SUBSTITUTED BICYCLIC BIS-ARYL COMPOUNDS EXHIBITING SELECTIVE LEUKOTRIENE B4 ANTAGONIST ACTIVITY, THEIR PREPARATION AND USE IN PHARMACEUTICAL COMPOSITIONS RHONE-POULENC RORER S.A. (FR) 1992-02-06 WO disclosed