SCHEMBL7345600

SCHEMBL7345600

N=C(Nc1cccc(C(=O)NCC(=O)Nc2c(Cl)cc(Cl)cc2CCC(=O)O)c1)N1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
BRD4 O60885 1/20 0.37
ATAD2 Q6PL18 1/20 0.37
HPGD P15428 1/20 0.37
ANO1 Q5XXA6 2/20 0.37
ITGB3 P05106 1/20 0.37
ITGAV P06756 1/20 0.37
ITGB6 P18564 1/20 0.37
TRPV1 Q8NER1 2/20 0.36
EPHX2 P34913 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL4336179 0.85 SMN1; SMN2 (0.41) SMN1; SMN2LMNAMAPTALDH1A1MEN1
SCHEMBL7347348 0.80 KMT2A (0.38) SMN1; SMN2LMNAMAPTALDH1A1MEN1
SCHEMBL7369754 0.80 ITGB1 (0.48) SMN1; SMN2LMNAMAPTMEN1KMT2A
SCHEMBL7338744 0.80 LMNA (0.46) NPC1RAB9ASMN1; SMN2LMNAMAPT
SCHEMBL7349856 0.78 ITGB3 (0.46) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL7343848 0.78 SMN1; SMN2 (0.38) SMN1; SMN2LMNAMAPTALDH1A1MEN1
SCHEMBL7343852 0.78 SMN1; SMN2 (0.38) SMN1; SMN2LMNAMAPTALDH1A1MEN1
SCHEMBL7338107 0.77 ITGB3 (0.40) SMN1; SMN2LMNAMAPTALDH1A1MEN1
SCHEMBL7367429 0.77 ITGB3 (0.62) ITGB3ITGAVITGB6
SCHEMBL6774120 0.77 ITGB3 (0.47) ITGB3ITGAVITGB6

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