SCHEMBL688454

SCHEMBL688454

O=C(O)C[C@H](NC(=O)Nc1c(O)c2c(n(Cc3ccccc3Cl)c1=O)CCC2)c1ccc2c(c1)CCC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
ALDH1A1 P00352 3/20 0.37
HPGD P15428 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KDM4E B2RXH2 2/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
MAPT P10636 1/20 0.35
KEAP1 Q14145 2/20 0.35
NFE2L2 Q16236 2/20 0.35
NLRP3 Q96P20 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
ITGB3 P05106 2/20 0.34
ITGAV P06756 2/20 0.34
ITGB5 P18084 1/20 0.34
ITGB6 P18564 1/20 0.34

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
SCHEMBL688444 0.91 MEN1 (0.43) MEN1KMT2AALDH1A1HPGDSMN1; SMN2
SCHEMBL688345 0.91 MEN1 (0.41) MEN1KMT2AALDH1A1HPGDSMN1; SMN2
SCHEMBL688610 0.91 MEN1 (0.44) MEN1KMT2AALDH1A1HPGDSMN1; SMN2
SCHEMBL687393 0.90 MEN1 (0.39) MEN1KMT2AALDH1A1HPGDSMN1; SMN2
SCHEMBL687806 0.90 MEN1 (0.41) MEN1KMT2AALDH1A1HPGDSMN1; SMN2
SCHEMBL688349 0.90 MEN1 (0.41) MEN1KMT2AALDH1A1HPGDSMN1; SMN2
SCHEMBL688658 0.89 MEN1 (0.43) MEN1KMT2AALDH1A1HPGDSMN1; SMN2
SCHEMBL688572 0.89 MEN1 (0.47) MEN1KMT2AALDH1A1HPGDSMN1; SMN2
SCHEMBL687331 0.89 MEN1 (0.41) MEN1KMT2AALDH1A1HPGDSMN1; SMN2
SCHEMBL688537 0.89 KEAP1 (0.39) MEN1KMT2AALDH1A1HPGDSMN1; 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-1203766-B1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS INC (US) 2012-02-29 EP disclosed
EP-1203766-A2 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors TEXAS BIOTECHNOLOGY CORPORATION (US) 2002-05-08 EP disclosed