SCHEMBL4451781

SCHEMBL4451781

O=C(O)Nc1ccccc1-n1cncn1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
ALDH1A1 P00352 3/20 0.49
MAPT P10636 1/20 0.49
HPGD P15428 1/20 0.49
POLB P06746 2/20 0.47
KDM4E B2RXH2 1/20 0.47
APOBEC3A P31941 1/20 0.44
APOBEC3G Q9HC16 1/20 0.44
GLA P06280 1/20 0.44
HTT P42858 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL4462502 0.77 POLB (0.42) KMT2AMEN1ALDH1A1MAPTHPGD
SCHEMBL19977020 0.77 ALDH1A1 (0.47) KMT2AMEN1ALDH1A1MAPTHPGD
SCHEMBL21893901 0.77 KMT2A (0.44) KMT2AMEN1ALDH1A1MAPTHPGD
SCHEMBL3711804 0.77 KMT2A (0.44) KMT2AMEN1ALDH1A1MAPTHPGD
SCHEMBL15452611 0.76 KMT2A (0.59) KMT2AMEN1ALDH1A1MAPTHPGD
SCHEMBL30982330 0.76 HCRTR1 (0.51) KMT2AMEN1ALDH1A1MAPTHPGD
SCHEMBL4454936 0.73 ABCB1 (0.40) KMT2AMEN1ALDH1A1MAPTPOLB
SCHEMBL4468269 0.73 ABCG2 (0.44) KMT2AMEN1ALDH1A1MAPTPOLB
SCHEMBL13078833 0.71 ALDH1A1 (0.45) ALDH1A1POLBKDM4ECYP1A2CYP2C9
SCHEMBL1165268 0.71 SMN1; SMN2 (0.53) ALDH1A1MAPTPOLBKDM4EHTT

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
WO-2009090548-A2 3-AZABICYCLO [3.1.0] HEXANE DERIVATIVES AS VANILLOID RECEPTOR LIGANDS GLENMARK PHARMACEUTICALS, S.A. (US) 2009-07-23 WO disclosed