SCHEMBL7339503

SCHEMBL7339503

CCOC(=O)C(Cc1cc(OCC)cc(OCC)c1)NC(=O)CNC(=O)c1cccc(NC=NN)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.40
NR1H4 Q96RI1 1/20 0.40
GPR139 Q6DWJ6 4/20 0.39
RAB9A P51151 2/20 0.38
LMNA P02545 2/20 0.38
GAA P10253 1/20 0.38
NPC1 O15118 3/20 0.38
HPGD P15428 1/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 3/20 0.37
ALDH1A1 P00352 1/20 0.36
ALOX12 P18054 1/20 0.36
CCR6 P51684 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
ITGB3 P05106 1/20 0.36
ITGB1 P05556 1/20 0.36
ITGAV P06756 1/20 0.36

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
SCHEMBL7338364 0.93 GPR139 (0.45) KMT2AMEN1SMN1; SMN2GPR139LMNA
SCHEMBL7823801 0.92 KMT2A (0.43) KMT2AMEN1SMN1; SMN2NR1H4GPR139
SCHEMBL7837425 0.92 GPR139 (0.40) KMT2AMEN1SMN1; SMN2GPR139RAB9A
SCHEMBL7341748 0.90 TACR1 (0.41) KMT2AMEN1GPR139TP53ALDH1A1
SCHEMBL7825718 0.89 TP53 (0.47) KMT2AMEN1GPR139TP53ALDH1A1
SCHEMBL7836858 0.89 SMN1; SMN2 (0.44) KMT2ASMN1; SMN2NR1H4GPR139LMNA
SCHEMBL7346563 0.87 MEN1 (0.40) KMT2AMEN1GPR139RAB9ALMNA
SCHEMBL7340345 0.87 TP53 (0.39) GPR139RAB9ALMNAGAANPC1
SCHEMBL7341105 0.87 CTSL (0.46) KMT2AMEN1GPR139TP53ALDH1A1
SCHEMBL7344058 0.86 GLA (0.41) KMT2AMEN1RAB9ALMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0850221-B1 META-GUANIDINE, UREA, THIOUREA OR AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS SEARLE & CO (US) 2001-07-18 EP claimed
EP-0850221-A1 META-GUANIDINE, UREA, THIOUREA OR AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1998-07-01 EP claimed
WO-1997008145-A1 META-GUANIDINE, UREA, THIOUREA OR AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1997-03-06 WO claimed