SCHEMBL7448239

SCHEMBL7448239

CCOC(=O)CN(C(=O)Oc1ccc2[nH]c(C(=O)c3ccc(C#N)cc3)nc2c1C)c1ccccn1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.33
MAPT P10636 3/20 0.33
ELANE P08246 2/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 5/20 0.32
PKM P14618 1/20 0.32
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
NQO2 P16083 1/20 0.31
HTR1A P08908 2/20 0.31
PDE10A Q9Y233 2/20 0.31
AR P10275 1/20 0.31
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
Hydrochloric Acid SCHEMBL7448707 0.89 NQO2 (0.40) POLBMAPTMEN1GAAKMT2A
SCHEMBL7445637 0.85 ALDH1A1 (0.39) POLBMAPTMEN1GAAKMT2A
Hydrochloric Acid SCHEMBL7447297 0.78 POLB (0.41) POLBMAPTMEN1GAAKMT2A
SCHEMBL7452770 0.77 HCRTR1 (0.34) MAPTMEN1GAAKMT2AHCRTR1
Hydrochloric Acid SCHEMBL7446278 0.76 NQO2 (0.39) POLBMAPTMEN1GAAKMT2A
Hydrochloric Acid SCHEMBL7444749 0.76 NQO2 (0.47) POLBMAPTNQO2ALDH1A1
Hydrochloric Acid SCHEMBL7447354 0.75 NQO2 (0.38) POLBMAPTMEN1GAAKMT2A
SCHEMBL7442527 0.74 POLB (0.41) POLBMAPTMEN1GAAKMT2A
SCHEMBL7444335 0.74 MAPT (0.41) POLBMAPTMEN1GAAKMT2A
Hydrochloric Acid SCHEMBL7445558 0.72 SMN1; SMN2 (0.40) POLBMEN1GAAKMT2ANQO2

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-0966454-A1 DISUBSTITUTED BICYCLIC HETEROCYCLES, THEIR PRODUCTION AND USE AS MEDICAMENTS Boehringer Ingelheim Pharma KG (DE) 1999-12-29 EP disclosed
WO-1998037075-A1 DISUBSTITUTED BICYCLIC HETEROCYCLES, THEIR PRODUCTION AND USE AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 1998-08-27 WO disclosed