SCHEMBL7790184

SCHEMBL7790184

N=C(N)Nc1cccc(S(=O)(=O)Nc2cccc(C(CC(=O)O)NC(=O)c3ccc(F)cc3)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
HPGD P15428 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
ITGB3 P05106 3/20 0.46
ITGA2B P08514 2/20 0.46
THRB P10828 1/20 0.43
MAPT P10636 4/20 0.43
LMNA P02545 4/20 0.40
ITGAV P06756 1/20 0.40
CASP3 P42574 1/20 0.40
PHGDH O43175 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
SCHEMBL7194908 0.93 ITGB3 (0.51) MEN1KMT2ASMN1; SMN2ITGB3ITGA2B
SCHEMBL7781187 0.91 GAA (0.47) MEN1KMT2AL3MBTL1ITGB3ITGA2B
SCHEMBL7789975 0.91 ITGB3 (0.46) MEN1KMT2AITGB3ITGA2BMAPT
SCHEMBL7781212 0.91 ITGB3 (0.48) MEN1KMT2AITGB3ITGA2BMAPT
SCHEMBL7785662 0.89 MAPT (0.48) MEN1KMT2ASMN1; SMN2ITGB3ITGA2B
SCHEMBL7788360 0.88 LMNA (0.47) SMN1; SMN2ITGB3ITGA2BLMNAITGAV
SCHEMBL7786217 0.88 KMT2A (0.46) MEN1KMT2ASMN1; SMN2HPGDL3MBTL1
SCHEMBL7788754 0.88 ITGB3 (0.51) MEN1KMT2AITGB3ITGA2BMAPT
SCHEMBL7786198 0.88 ITGB3 (0.49) MEN1KMT2ASMN1; SMN2HPGDL3MBTL1
SCHEMBL7786246 0.87 ITGB3 (0.46) MEN1KMT2ASMN1; SMN2HPGDL3MBTL1

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