SCHEMBL7337256

SCHEMBL7337256

O=C(O)CCc1cccnc1NC(=O)CNC(=O)c1cccc(NC(=O)Nc2ccccc2)c1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.48
PPIA P62937 4/20 0.46
EPHX2 P34913 2/20 0.46
RAB9A P51151 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
HTT P42858 2/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KDR P35968 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SIRT1 Q96EB6 1/20 0.43
NPC1 O15118 1/20 0.42
ATM Q13315 1/20 0.42
DGAT1 O75907 1/20 0.41
BRAF P15056 1/20 0.41

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
SCHEMBL7349946 0.92 L3MBTL1 (0.46) L3MBTL1PPIAEPHX2RAB9ATDP1
SCHEMBL7341616 0.92 L3MBTL1 (0.45) L3MBTL1PPIAEPHX2RAB9ATDP1
SCHEMBL7340336 0.92 KDR (0.52) L3MBTL1PPIARAB9ATDP1LMNA
SCHEMBL7343900 0.91 KMT2A (0.47) L3MBTL1PPIARAB9ATDP1HTT
SCHEMBL7339623 0.90 L3MBTL1 (0.46) L3MBTL1PPIARAB9ATDP1HTT
SCHEMBL7366121 0.90 SMN1; SMN2 (0.57) L3MBTL1RAB9AHTTMAPTSMN1; SMN2
SCHEMBL7349032 0.90 L3MBTL1 (0.46) L3MBTL1PPIARAB9ATDP1HTT
SCHEMBL7341988 0.88 L3MBTL1 (0.45) L3MBTL1PPIARAB9ATDP1HTT
SCHEMBL7337272 0.88 L3MBTL1 (0.45) L3MBTL1PPIARAB9ATDP1HTT
SCHEMBL7340216 0.88 PPIA (0.50) L3MBTL1PPIARAB9AHTTMAPT

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