SCHEMBL8986949

SCHEMBL8986949

O=c1cc(-c2cccc(Cl)c2)cc(-c2ccccc2)[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.50
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
ALDH1A1 P00352 3/20 0.49
LMNA P02545 2/20 0.49
HPGD P15428 1/20 0.49
TAS2R38 P59533 1/20 0.49
BRD4 O60885 1/20 0.47
SCN2A Q99250 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
KDM4E B2RXH2 1/20 0.46
NPC1 O15118 1/20 0.46
MAPT P10636 1/20 0.46
CYP19A1 P11511 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PGR P06401 3/20 0.45
PIK3C3 Q8NEB9 1/20 0.44
GAA P10253 1/20 0.43
HTT P42858 1/20 0.42

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
SCHEMBL8987106 0.85 CYP1A2 (0.52) NOTUMMEN1KMT2AALDH1A1LMNA
SCHEMBL8987311 0.85 CYP1A2 (0.52) NOTUMMEN1KMT2AALDH1A1LMNA
SCHEMBL6756097 0.84 TAS2R38 (0.60) NOTUMALDH1A1LMNAHPGDTAS2R38
SCHEMBL9520805 0.83 PIK3C3 (0.52) MEN1KMT2AALDH1A1LMNAHPGD
SCHEMBL8987030 0.82 HTT (0.47) NOTUMMEN1KMT2AALDH1A1LMNA
SCHEMBL8987272 0.80 NOTUM (0.50) NOTUMKMT2AALDH1A1LMNAHPGD
SCHEMBL8987074 0.80 HPGD (0.51) NOTUMMEN1KMT2AALDH1A1LMNA
SCHEMBL9521473 0.79 ALDH1A1 (0.43) MEN1KMT2AALDH1A1LMNAHPGD
SCHEMBL9521681 0.77 ALKBH3 (0.44) MEN1KMT2AALDH1A1LMNAHPGD
SCHEMBL8987241 0.77 KDM4E (0.55) NOTUMMEN1KMT2AALDH1A1LMNA

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