SCHEMBL7346563

SCHEMBL7346563

CCOC(=O)C(Cc1cc(Br)c(O)c(Br)c1)NC(=O)CNC(=O)c1cccc(NC=NN)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ITGB3 P05106 11/20 0.37
ITGAV P06756 11/20 0.37
ITGB6 P18564 6/20 0.37
GPR139 Q6DWJ6 4/20 0.36
TP53 P04637 1/20 0.36
ITGB1 P05556 3/20 0.36
ITGA5 P08648 3/20 0.36
ITGB5 P18084 1/20 0.36
ITGB8 P26012 1/20 0.36
ITGA8 P53708 1/20 0.36
NPC1 O15118 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL7340345 0.90 TP53 (0.39) LMNAITGB3ITGAVGPR139TP53
SCHEMBL7341748 0.90 TACR1 (0.41) MEN1KMT2AITGB3ITGAVITGB6
SCHEMBL7344058 0.89 GLA (0.41) MEN1KMT2AKDM4ELMNAMAPT
SCHEMBL7825718 0.89 TP53 (0.47) MEN1KMT2AITGB3ITGAVGPR139
SCHEMBL7345088 0.89 ITGB3 (0.41) MEN1KMT2AKDM4ELMNAMAPT
SCHEMBL7339503 0.87 KMT2A (0.42) MEN1KMT2ALMNAMAPTITGB3
SCHEMBL7338364 0.87 GPR139 (0.45) MEN1KMT2AKDM4ELMNAMAPK1
SCHEMBL7341105 0.86 CTSL (0.46) MEN1KMT2AGPR139TP53
SCHEMBL7837425 0.86 GPR139 (0.40) MEN1KMT2ALMNAITGB3ITGAV
SCHEMBL7339157 0.85 TACR1 (0.44) MEN1KMT2AMAPTITGB3ITGAV

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