SCHEMBL7350844

SCHEMBL7350844

O=C(O)CCc1cccc(Cl)c1NC(=O)CNC(=O)c1cccc(NC(=O)NCc2ccccc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.53
LMNA P02545 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
PPARG P37231 2/20 0.47
KDR P35968 1/20 0.45
SENP1 Q9P0U3 3/20 0.44
KDM4E B2RXH2 1/20 0.43
MAPK1 P28482 2/20 0.43
RAB9A P51151 4/20 0.42
NPC1 O15118 3/20 0.42
KMT2A Q03164 3/20 0.42
HPGD P15428 2/20 0.42
MEN1 O00255 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HTT P42858 2/20 0.41
ALDH1A1 P00352 1/20 0.41
MITF O75030 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MTOR P42345 1/20 0.41
FFAR1 O14842 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
SCHEMBL7338744 0.91 LMNA (0.46) MAPTLMNASMN1; SMN2PPARGKDR
SCHEMBL7340336 0.84 KDR (0.52) MAPTLMNASMN1; SMN2PPARGKDR
SCHEMBL6776908 0.80 MAPK1 (0.50) MAPTLMNASMN1; SMN2PPARGKDR
Chlorobenzene SCHEMBL7832714 0.80 KDM4E (0.52) MAPTLMNASMN1; SMN2PPARGKDR
SCHEMBL7372561 0.80 KCNK3 (0.56) MAPTLMNASMN1; SMN2PPARGKDR
SCHEMBL7823595 0.79 KDM4E (0.53) MAPTLMNASMN1; SMN2KDRKDM4E
SCHEMBL7856448 0.78 PPARG (0.68) MAPTLMNASMN1; SMN2PPARGKDR
SCHEMBL7861952 0.77 PPARG (0.53) MAPTLMNASMN1; SMN2PPARGKDR
SCHEMBL7375966 0.77 TSHR (0.45) MAPTLMNASMN1; SMN2KDM4EMAPK1
SCHEMBL7341780 0.77 TP53 (0.46) MAPTLMNASMN1; SMN2PPARGKDR

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