SCHEMBL7345963

SCHEMBL7345963

CCNC(=NC#N)Nc1cccc(C(=O)NCC(=O)NOC(=O)CCc2ccccc2)c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SENP1 Q9P0U3 4/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
MAPT P10636 2/20 0.43
LMNA P02545 1/20 0.42
ITGB1 P05556 1/20 0.40
ITGA5 P08648 1/20 0.40
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NR1H4 Q96RI1 1/20 0.39
F2R P25116 1/20 0.39
GAA P10253 1/20 0.38
NPC1 O15118 1/20 0.38
RXFP1 Q9HBX9 1/20 0.37

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
SCHEMBL7346962 0.81 ITGB1 (0.47) SENP1LMNAITGB1ITGA5
SCHEMBL6774133 0.79 TP53 (0.45) ALDH1A1MAPTLMNAITGB1ITGA5
SCHEMBL7346968 0.79 KCNK3 (0.45) SENP1MAPTLMNAITGB1ITGA5
SCHEMBL7345956 0.79 KCNK3 (0.45) SENP1MAPTLMNAITGB1ITGA5
SCHEMBL6774132 0.76 GPR139 (0.44) MAPTITGB1ITGA5
SCHEMBL6774128 0.76 GPR139 (0.44) MAPTITGB1ITGA5
SCHEMBL6776895 0.76 ITGB3 (0.47) ITGB1ITGA5
SCHEMBL6776891 0.76 ITGB3 (0.47) ITGB1ITGA5
SCHEMBL6772589 0.75 RAB9A (0.51) ALDH1A1HPGDMAPTRAB9ASMN1; SMN2
SCHEMBL6772591 0.75 RAB9A (0.51) ALDH1A1HPGDMAPTRAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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