SCHEMBL7790187

SCHEMBL7790187

N=C(N)Nc1cccc(S(=O)(=O)Nc2cccc(C(CC(=O)O)NC(=O)C3CCCC3)c2)c1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 10/20 0.43
ITGAV P06756 8/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 5/20 0.41
HTT P42858 2/20 0.40
USP2 O75604 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
ITGA2B P08514 3/20 0.40
ALDH1A1 P00352 2/20 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
SCHEMBL7788177 0.99 ITGB3 (0.43) ITGB3ITGAVSMN1; SMN2LMNAHTT
SCHEMBL7788313 0.96 ITGB3 (0.45) ITGB3ITGAVSMN1; SMN2LMNAHTT
SCHEMBL7194908 0.84 ITGB3 (0.51) ITGB3ITGAVSMN1; SMN2LMNAITGA2B
SCHEMBL7781101 0.82 KMT2A (0.46) ITGB3ITGAVSMN1; SMN2LMNAALDH1A1
SCHEMBL7788773 0.81 ITGB3 (0.42) ITGB3ITGAVSMN1; SMN2LMNAALDH1A1
SCHEMBL14501731 0.81 ITGB3 (0.44) ITGB3ITGAVLMNAITGA2BMAPT
SCHEMBL13715863 0.81 PKM (0.46) ITGB3ITGAVSMN1; SMN2LMNAHPGD
SCHEMBL7789975 0.81 ITGB3 (0.46) ITGB3ITGAVLMNAHTTITGA2B
SCHEMBL7191727 0.81 ITGB3 (0.46) ITGB3ITGAVSMN1; SMN2ALDH1A1
SCHEMBL7781212 0.81 ITGB3 (0.48) ITGB3ITGAVITGA2BMAPT

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