SCHEMBL7340336

SCHEMBL7340336

O=C(O)CCc1cccnc1NC(=O)CNC(=O)c1cccc(NC(=O)NCc2ccccc2)c1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.52
PPARG P37231 1/20 0.47
TP53 P04637 1/20 0.47
TSHR P16473 2/20 0.46
PPIA P62937 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
RAB9A P51151 2/20 0.45
NPC1 O15118 1/20 0.45
SENP1 Q9P0U3 2/20 0.44
LMNA P02545 2/20 0.43
MAPT P10636 1/20 0.43
ROCK2 O75116 1/20 0.43
NAMPT P43490 2/20 0.43
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL7343900 0.92 KMT2A (0.47) PPIAL3MBTL1RAB9ANPC1LMNA
SCHEMBL7337256 0.92 L3MBTL1 (0.48) KDRPPIAL3MBTL1SMN1; SMN2RAB9A
SCHEMBL7366121 0.91 SMN1; SMN2 (0.57) KDRTSHRL3MBTL1SMN1; SMN2RAB9A
SCHEMBL7341780 0.91 TP53 (0.46) KDRPPARGTP53PPIAL3MBTL1
SCHEMBL7341616 0.90 L3MBTL1 (0.45) KDRTSHRPPIAL3MBTL1SMN1; SMN2
SCHEMBL7349946 0.88 L3MBTL1 (0.46) TP53TSHRPPIAL3MBTL1SMN1; SMN2
SCHEMBL7339623 0.86 L3MBTL1 (0.46) TP53PPIAL3MBTL1SMN1; SMN2RAB9A
SCHEMBL7349032 0.86 L3MBTL1 (0.46) TP53PPIAL3MBTL1SMN1; SMN2RAB9A
SCHEMBL7337272 0.84 L3MBTL1 (0.45) TP53PPIAL3MBTL1SMN1; SMN2RAB9A
SCHEMBL7341988 0.84 L3MBTL1 (0.45) TP53PPIAL3MBTL1SMN1; SMN2RAB9A

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