SCHEMBL7375568

SCHEMBL7375568

N=C(N)Nc1cccc(C(=O)NN(C(Cc2ccccc2)C(=O)O)S(=O)(=O)c2ccccc2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TSHR P16473 1/20 0.41
ALDH1A1 P00352 3/20 0.40
ITGB3 P05106 4/20 0.40
ITGA2B P08514 4/20 0.40
ITGAV P06756 3/20 0.40
ITGB1 P05556 2/20 0.40
ITGB5 P18084 2/20 0.40
MAPT P10636 2/20 0.39
F10 P00742 2/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
F2 P00734 1/20 0.38
TMPRSS6 Q8IU80 1/20 0.38
POLB P06746 1/20 0.37

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
SCHEMBL7376063 0.89 KMT2A (0.43) LMNAMEN1KMT2ASMN1; SMN2TSHR
SCHEMBL7379500 0.89 ALDH1A1 (0.42) LMNAMEN1KMT2ASMN1; SMN2TSHR
SCHEMBL7380612 0.87 ITGB3 (0.43) LMNAITGB3ITGA2BITGAVMAPT
SCHEMBL7375578 0.86 ALDH1A1 (0.41) LMNAMEN1KMT2ASMN1; SMN2TSHR
SCHEMBL7375584 0.86 ALDH1A1 (0.41) LMNAMEN1KMT2ASMN1; SMN2TSHR
SCHEMBL7377895 0.84 F10 (0.38) LMNAMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL7380572 0.82 ITGB3 (0.40) LMNAKMT2ASMN1; SMN2ALDH1A1ITGB3
SCHEMBL7380439 0.80 ALDH1A1 (0.43) LMNAMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL7375593 0.80 ALDH1A1 (0.42) LMNAMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL7466483 0.77 NPC1 (0.45) MEN1KMT2ASMN1; SMN2ALDH1A1ITGB3

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-0891325-A1 PARA-SUBSTITUTED PHENYLPROPANOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1999-01-20 EP claimed
WO-1997036859-A1 PARA-SUBSTITUTED PHENYLPROPANOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1997-10-09 WO claimed