SCHEMBL7366121

SCHEMBL7366121

O=C(O)CCc1cccnc1NC(=O)CNC(=O)c1cccc(NC(=O)NCc2ccccn2)c1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.57
NPC1 O15118 3/20 0.57
RAB9A P51151 2/20 0.57
TSHR P16473 1/20 0.57
ALOX15 P16050 1/20 0.55
KMT2A Q03164 5/20 0.51
GLA P06280 1/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
MEN1 O00255 2/20 0.45
ALDH1A1 P00352 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
KDR P35968 1/20 0.43

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
SCHEMBL7340336 0.91 KDR (0.52) SMN1; SMN2NPC1RAB9ATSHRMAPT
SCHEMBL7337256 0.90 L3MBTL1 (0.48) SMN1; SMN2NPC1RAB9AKMT2AMAPT
SCHEMBL7341616 0.88 L3MBTL1 (0.45) SMN1; SMN2NPC1RAB9ATSHRKMT2A
SCHEMBL7343900 0.87 KMT2A (0.47) NPC1RAB9AKMT2AGLAMAPT
SCHEMBL7349946 0.86 L3MBTL1 (0.46) SMN1; SMN2NPC1RAB9ATSHRMAPT
SCHEMBL7339623 0.84 L3MBTL1 (0.46) SMN1; SMN2RAB9AMAPTHTTL3MBTL1
SCHEMBL7349032 0.84 L3MBTL1 (0.46) SMN1; SMN2RAB9AMAPTHTTALDH1A1
SCHEMBL7337272 0.83 L3MBTL1 (0.45) SMN1; SMN2NPC1RAB9AMAPTHTT
SCHEMBL7341988 0.83 L3MBTL1 (0.45) SMN1; SMN2RAB9AMAPTHTTL3MBTL1
SCHEMBL7341780 0.82 TP53 (0.46) SMN1; SMN2NPC1RAB9AKMT2AMAPT

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 4 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
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