SCHEMBL8987263

SCHEMBL8987263

CN(C)c1ccc(-c2cc(=O)[nH]c3ccccc23)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.68
SMN1; SMN2 Q16637 2/20 0.68
MAPK1 P28482 1/20 0.68
HTT P42858 1/20 0.68
CYP1A2 P05177 1/20 0.53
CYP2C19 P33261 1/20 0.53
TNKS2 Q9H2K2 1/20 0.53
ALDH1A1 P00352 3/20 0.50
POLB P06746 1/20 0.50
KDM4E B2RXH2 4/20 0.48
AR P10275 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
RXFP1 Q9HBX9 1/20 0.48
NPC1 O15118 1/20 0.47
GUSB P08236 1/20 0.47
MAPT P10636 1/20 0.47
RAB9A P51151 1/20 0.47
MMP2 P08253 1/20 0.45
MMP9 P14780 1/20 0.45

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
SCHEMBL8986955 0.82 HPGD (0.74) HPGDSMN1; SMN2MAPK1HTTCYP1A2
SCHEMBL28133652 0.81 HPGD (1.00) HPGDSMN1; SMN2MAPK1HTTCYP1A2
SCHEMBL29612166 0.81 HPGD (1.00) HPGDSMN1; SMN2MAPK1HTTCYP1A2
SCHEMBL1173520 0.81 HPGD (1.00) HPGDSMN1; SMN2MAPK1HTTCYP1A2
SCHEMBL8987418 0.79 HPGD (0.74) HPGDSMN1; SMN2MAPK1HTTCYP1A2
SCHEMBL8987046 0.79 HPGD (0.74) HPGDSMN1; SMN2MAPK1HTTCYP1A2
SCHEMBL8987050 0.78 HPGD (0.68) HPGDSMN1; SMN2MAPK1HTTCYP1A2
SCHEMBL8986966 0.78 KDM4E (0.71) HPGDSMN1; SMN2MAPK1HTTCYP1A2
SCHEMBL31677372 0.78 KDM4E (0.71) HPGDSMN1; SMN2MAPK1HTTCYP1A2
SCHEMBL14104736 0.77 CTSV (0.70) HPGDSMN1; SMN2MAPK1CYP1A2ALDH1A1

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