SCHEMBL9423732

SCHEMBL9423732

COc1ccccc1OC1C(=O)NC(c2cccnc2)NC1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.43
KDM4E B2RXH2 5/20 0.41
MAPT P10636 4/20 0.41
KMT2A Q03164 4/20 0.41
MAPK1 P28482 2/20 0.41
RECQL P46063 1/20 0.41
RAB9A P51151 1/20 0.41
MCL1 Q07820 1/20 0.41
ALDH1A1 P00352 4/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MKNK1 Q9BUB5 2/20 0.39
MKNK2 Q9HBH9 2/20 0.39
GAA P10253 2/20 0.38
NOTUM Q6P988 1/20 0.38
CYP19A1 P11511 1/20 0.37
AHR P35869 1/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C9 P11712 1/20 0.36

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
SCHEMBL4062089 0.87 ALDH1A1 (0.46) KDM4EMAPTKMT2ARAB9AALDH1A1
SCHEMBL1532744 0.79 L3MBTL1 (0.39) MEN1KDM4EMAPTKMT2AMAPK1
SCHEMBL7209808 0.70 CA2 (0.46) MEN1KDM4EMAPTKMT2AMAPK1
SCHEMBL7197852 0.67 SIRT2 (0.49) MEN1MAPTKMT2ARAB9AALDH1A1
SCHEMBL5666286 0.66 RAB9A (0.35) KDM4ERAB9AALDH1A1LMNASMN1; SMN2
SCHEMBL10624676 0.65 KMT2A (0.45) MEN1KDM4EKMT2AALDH1A1GAA
SCHEMBL9831088 0.65 KDM4E (0.41) MEN1KDM4EMAPTKMT2AMAPK1
SCHEMBL7295427 0.64 PLAT (0.32) KDM4EMAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL2524847 0.63 CHRNB2 (0.52) MEN1KDM4EMAPTKMT2AMAPK1
SCHEMBL9831252 0.63 KDM4E (0.46) MEN1KDM4EMAPTKMT2AMAPK1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5292740-A Sulfonamides HOFFMANN-LA ROCHE INC. (US) 1994-03-08 US disclosed