SCHEMBL7340143

SCHEMBL7340143

NN=CNc1cccc(C(=O)NCC(=O)Nc2cc(F)ccc2CCC(=O)O)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
TAAR1 Q96RJ0 1/20 0.41
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
ANO1 Q5XXA6 2/20 0.39
HTT P42858 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ITGB3 P05106 2/20 0.38
ITGAV P06756 2/20 0.38
ITGA2B P08514 2/20 0.38
GPR139 Q6DWJ6 1/20 0.38
POLB P06746 1/20 0.37
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.36
BCHE P06276 2/20 0.36
MAPT P10636 1/20 0.35

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
SCHEMBL7340089 0.87 ANO1 (0.43) KDM4EMEN1KMT2ANPSR1ANO1
SCHEMBL7337069 0.86 ITGB3 (0.41) SMN1; SMN2MEN1KMT2ANPSR1HTT
SCHEMBL7339438 0.84 L3MBTL1 (0.39) SMN1; SMN2KDM4EMEN1KMT2AHTT
SCHEMBL7342298 0.84 HTT (0.37) SMN1; SMN2MEN1KMT2ANPSR1HTT
SCHEMBL7347498 0.83 SMN1; SMN2 (0.38) SMN1; SMN2MEN1KMT2AHTTL3MBTL1
SCHEMBL7340369 0.82 HTT (0.39) SMN1; SMN2MEN1KMT2AHTTL3MBTL1
SCHEMBL7346220 0.82 HTT (0.39) SMN1; SMN2KDM4EMEN1KMT2ANPSR1
SCHEMBL7341272 0.82 KMT2A (0.41) SMN1; SMN2MEN1KMT2AANO1HTT
SCHEMBL7347817 0.81 HTT (0.38) SMN1; SMN2MEN1KMT2AHTTL3MBTL1
SCHEMBL7347231 0.81 LMNA (0.38) SMN1; SMN2MEN1KMT2AHTTL3MBTL1

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