SCHEMBL7337272

SCHEMBL7337272

NC(=S)Nc1cccc(C(=O)NCC(=O)Nc2ncccc2CCC(=O)O)c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.45
RAB9A P51151 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
ALDH1A1 P00352 1/20 0.43
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
ITGB3 P05106 4/20 0.39
ITGA2B P08514 4/20 0.39
ITGAV P06756 3/20 0.39
PPIA P62937 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.37
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
SCHEMBL7339623 0.92 L3MBTL1 (0.46) L3MBTL1RAB9ATDP1HTTSMN1; SMN2
SCHEMBL7341988 0.90 L3MBTL1 (0.45) L3MBTL1RAB9ATDP1HTTSMN1; SMN2
SCHEMBL7337256 0.88 L3MBTL1 (0.48) L3MBTL1RAB9ATDP1HTTSMN1; SMN2
SCHEMBL7341616 0.86 L3MBTL1 (0.45) L3MBTL1RAB9ATDP1HTTSMN1; SMN2
SCHEMBL7349946 0.85 L3MBTL1 (0.46) L3MBTL1RAB9ATDP1HTTSMN1; SMN2
SCHEMBL7349032 0.84 L3MBTL1 (0.46) L3MBTL1RAB9ATDP1ALDH1A1HTT
SCHEMBL7340336 0.84 KDR (0.52) L3MBTL1RAB9ATDP1SMN1; SMN2PPIA
SCHEMBL7343900 0.83 KMT2A (0.47) L3MBTL1RAB9ATDP1HTTPPIA
SCHEMBL7366121 0.83 SMN1; SMN2 (0.57) L3MBTL1RAB9AALDH1A1HTTSMN1; SMN2
SCHEMBL7341780 0.83 TP53 (0.46) L3MBTL1RAB9ATDP1ALDH1A1HTT

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 disclosed
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 disclosed