SCHEMBL6501915

SCHEMBL6501915

O=C(Cc1ccc(OCc2ccccc2)cc1)c1cccnc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.66
KMT2A Q03164 2/20 0.60
MEN1 O00255 1/20 0.60
LMNA P02545 2/20 0.57
TDP1 Q9NUW8 1/20 0.57
MAPK1 P28482 1/20 0.55
SMN1; SMN2 Q16637 3/20 0.53
ALDH1A1 P00352 2/20 0.53
THRB P10828 1/20 0.53
PLOD2 O00469 1/20 0.52
NR4A1 P22736 1/20 0.52
NR4A2 P43354 1/20 0.52
NR4A3 Q92570 1/20 0.52
ALOX5 P09917 2/20 0.52
HTT P42858 2/20 0.52
GPR132 Q9UNW8 1/20 0.51
CYP19A1 P11511 2/20 0.50
CYP11B1 P15538 2/20 0.50
CYP11B2 P19099 2/20 0.50
MAOB P27338 1/20 0.50

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
SCHEMBL4784726 0.87 RAB9A (0.63) RAB9AKMT2AMEN1LMNATDP1
SCHEMBL360711 0.86 PLOD2 (0.69) RAB9AKMT2AMEN1LMNATDP1
SCHEMBL9310930 0.85 PLOD2 (0.50) RAB9AKMT2AMEN1LMNATDP1
Bromide SCHEMBL11040809 0.84 PLOD2 (0.67) RAB9AKMT2AMEN1LMNATDP1
Hydrochloric Acid SCHEMBL11169565 0.84 PLOD2 (0.67) RAB9AKMT2AMEN1LMNATDP1
SCHEMBL3272467 0.82 NR4A1 (0.60) RAB9ASMN1; SMN2ALDH1A1NR4A1NR4A2
SCHEMBL4744551 0.82 KMT2A (0.53) RAB9AKMT2ALMNATDP1SMN1; SMN2
SCHEMBL9312108 0.82 RAB9A (0.51) RAB9AKMT2ALMNASMN1; SMN2ALDH1A1
SCHEMBL8371452 0.82 LMNA (0.68) RAB9AKMT2ALMNASMN1; SMN2CYP19A1
SCHEMBL4220632 0.81 NR4A1 (0.72) RAB9ALMNASMN1; SMN2ALDH1A1NR4A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6881736-B1 Vitronectin receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 2005-04-19 US disclosed
US-6881736-B1 Vitronectin receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 2005-04-19 US disclosed
EP-1218005-B1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2004-12-15 EP disclosed
EP-1218005-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2002-10-09 EP disclosed
EP-1218005-A2 VITRONECTIN RECEPTOR ANTAGONISTS SmithKline Beecham Corporation (US) 2002-07-03 EP disclosed
WO-2001017959-A2 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2001-03-15 WO disclosed