SCHEMBL7785609

SCHEMBL7785609

COc1cccc(C(=O)NC(CC(=O)O)c2cccc(NS(=O)(=O)c3cccc(NC(=N)N)c3)c2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.45
MAPT P10636 3/20 0.45
MEN1 O00255 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
F2 P00734 1/20 0.45
ITGB3 P05106 3/20 0.44
ITGA2B P08514 3/20 0.44
EGFR P00533 2/20 0.44
FGFR1 P11362 2/20 0.44
KDR P35968 2/20 0.44
ALDH1A1 P00352 3/20 0.44
PKM P14618 1/20 0.43
HTT P42858 1/20 0.43
ITGA2 P17301 2/20 0.43
KCNK3 O14649 1/20 0.43
KCNK9 Q9NPC2 1/20 0.43

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
SCHEMBL7785662 0.93 MAPT (0.48) LMNAMAPTMEN1CYP3A4CYP2C9
SCHEMBL7194908 0.90 ITGB3 (0.51) LMNAMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL7790080 0.90 MEN1 (0.52) MAPTMEN1KMT2ASMN1; SMN2ITGB3
SCHEMBL7786246 0.88 ITGB3 (0.46) LMNAMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL7788754 0.87 ITGB3 (0.51) MAPTMEN1KMT2AF2ITGB3
SCHEMBL7789975 0.87 ITGB3 (0.46) LMNAMAPTMEN1CYP3A4CYP2C9
SCHEMBL7786217 0.86 KMT2A (0.46) LMNAMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL7781212 0.85 ITGB3 (0.48) MAPTMEN1CYP2C9CYP2C19KMT2A
SCHEMBL7790184 0.85 MEN1 (0.48) LMNAMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL7790169 0.85 ITGB3 (0.49) LMNAMAPTMEN1KMT2ASMN1; SMN2

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-1147079-A2 BETA-PHENYLALANINE DERIVATIVES AS INTEGRIN ANTAGONISTS Bayer Aktiengesellschaft (DE) 2001-10-24 EP disclosed
WO-2000041469-A2 β-PHENYLALANINE DERIVATIVES AS INTEGRIN ANTAGONISTS BAYER AKTIENGESELLSCHAFT (DE) 2000-07-20 WO disclosed