SCHEMBL7785607

SCHEMBL7785607

COc1cccc(C(=O)NC(CC(=O)O)c2cccc(N(NC(=N)N)S(=O)(=O)c3ccccc3)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
MAPT P10636 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
S1PR3 Q99500 1/20 0.46
GPR139 Q6DWJ6 6/20 0.44
KAT6A Q92794 1/20 0.43
ALDH1A1 P00352 3/20 0.42
MAPK1 P28482 1/20 0.42
ITGB3 P05106 1/20 0.42
ITGAV P06756 1/20 0.42
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
GAA P10253 1/20 0.40
HSD11B1 P28845 1/20 0.40

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
SCHEMBL7785658 0.93 LMNA (0.44) LMNAMAPTMEN1KMT2ACYP3A4
SCHEMBL7194899 0.91 ITGB3 (0.44) LMNAMAPTMEN1KMT2ACYP3A4
SCHEMBL7790073 0.90 CYP26A1 (0.46) LMNAMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL7788749 0.88 ITGB3 (0.44) LMNAMAPTMEN1KMT2ACYP3A4
SCHEMBL7786241 0.88 CTSA (0.46) MEN1KMT2AS1PR3GPR139ALDH1A1
SCHEMBL7789969 0.87 CYP26A1 (0.42) LMNAMAPTSMN1; SMN2ALDH1A1ITGB3
SCHEMBL7781206 0.86 ITGB3 (0.42) MAPTMEN1KMT2AMAPK1ITGB3
SCHEMBL7786214 0.85 S1PR3 (0.41) MEN1KMT2ACYP2C9CYP2C19S1PR3
SCHEMBL7790178 0.85 CTSA (0.41) MAPTMEN1KMT2AMAPK1ITGB3
SCHEMBL7788355 0.84 MMP12 (0.47) LMNASMN1; SMN2KAT6AITGB3ITGAV

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