SCHEMBL7781101

SCHEMBL7781101

N=C(N)Nc1cccc(S(=O)(=O)Nc2cccc(C(CC(=O)O)NC(=O)C34CC5CC(CC(C5)C3)C4)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.46
MEN1 O00255 1/20 0.46
LMNA P02545 3/20 0.45
ALDH1A1 P00352 1/20 0.44
ALOX12 P18054 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
HSD11B1 P28845 5/20 0.42
ITGB3 P05106 3/20 0.40
ITGAV P06756 3/20 0.40
POLB P06746 1/20 0.40
CYP2D6 P10635 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL7788313 0.84 ITGB3 (0.45) KMT2AMEN1LMNAALDH1A1SMN1; SMN2
SCHEMBL7790187 0.82 ITGB3 (0.43) LMNAALDH1A1SMN1; SMN2ITGB3ITGAV
SCHEMBL7194908 0.82 ITGB3 (0.51) KMT2AMEN1LMNASMN1; SMN2ITGB3
SCHEMBL7788177 0.81 ITGB3 (0.43) KMT2AMEN1LMNAALDH1A1SMN1; SMN2
SCHEMBL14501731 0.79 ITGB3 (0.44) KMT2AMEN1LMNAITGB3ITGAV
SCHEMBL7788773 0.79 ITGB3 (0.42) KMT2AMEN1LMNAALDH1A1SMN1; SMN2
SCHEMBL13715863 0.79 PKM (0.46) KMT2AMEN1LMNAALDH1A1SMN1; SMN2
SCHEMBL7790184 0.79 MEN1 (0.48) KMT2AMEN1LMNASMN1; SMN2ITGB3
SCHEMBL7789975 0.79 ITGB3 (0.46) KMT2AMEN1LMNAITGB3ITGAV
SCHEMBL7191727 0.79 ITGB3 (0.46) KMT2AMEN1ALDH1A1SMN1; SMN2ITGB3

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