SCHEMBL8987358

SCHEMBL8987358

COc1ccc2cc(-c3ccccc3)c(=O)[nH]c2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.59
HPGD P15428 5/20 0.59
KDM4E B2RXH2 4/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
MAPT P10636 2/20 0.56
PKM P14618 1/20 0.56
PTPN7 P35236 1/20 0.56
BLM P54132 1/20 0.56
WRN Q14191 1/20 0.56
CTDSP1 Q9GZU7 1/20 0.56
KMT2A Q03164 6/20 0.55
NPC1 O15118 5/20 0.55
RAB9A P51151 5/20 0.55
MEN1 O00255 5/20 0.55
ATM Q13315 1/20 0.55
RXFP1 Q9HBX9 2/20 0.54
LMNA P02545 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
PDGFRB P09619 1/20 0.51
PDGFRA P16234 1/20 0.51

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
SCHEMBL7196311 0.88 ALDH1A1 (0.70) ALDH1A1HPGDKDM4ESMN1; SMN2MAPT
SCHEMBL9384667 0.84 KDM4E (0.63) ALDH1A1HPGDKDM4ESMN1; SMN2MAPT
SCHEMBL9287506 0.81 MAOB (0.58) ALDH1A1HPGDKDM4ESMN1; SMN2MAPT
SCHEMBL31611895 0.81 NPC1 (0.63) ALDH1A1HPGDKDM4ESMN1; SMN2MAPT
SCHEMBL8925407 0.80 CA1 (0.53) PDGFRBFLT3CA2
SCHEMBL3501389 0.79 KDR (0.69) ALDH1A1HPGDKDM4ESMN1; SMN2MAPT
SCHEMBL3699661 0.78 KDM4E (0.77) ALDH1A1HPGDKDM4ESMN1; SMN2MAPT
SCHEMBL2008746 0.77 KDR (0.68) ALDH1A1HPGDKDM4ESMN1; SMN2KMT2A
SCHEMBL29712353 0.77 KDR (0.68) ALDH1A1HPGDKDM4ESMN1; SMN2KMT2A
SCHEMBL6170426 0.77 KMT2A (0.71) ALDH1A1HPGDKDM4ESMN1; SMN2MAPT

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