SCHEMBL9762213

SCHEMBL9762213

CC1(C)CON(Cc2ccncc2)C1=O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.44
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 3/20 0.41
TRIP13 Q15645 1/20 0.39
GAA P10253 2/20 0.38
CYP2D6 P10635 4/20 0.37
CYP3A4 P08684 3/20 0.37
CYP2C9 P11712 3/20 0.37
CYP2C19 P33261 1/20 0.36
GRM2 Q14416 1/20 0.36
IGF1R P08069 1/20 0.36
CA9 Q16790 1/20 0.35
CYP11B1 P15538 1/20 0.34
AR P10275 1/20 0.34
HPGD P15428 1/20 0.34
LMNA P02545 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HIF1A Q16665 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
SCHEMBL7613547 0.84 ELANE (0.50) BRD4ALDH1A1GAAMEN1KMT2A
SCHEMBL9762493 0.84 BRD4 (0.40) BRD4ALDH1A1KDM4E
SCHEMBL2352063 0.83 BRD4 (0.42) BRD4ALDH1A1KDM4EGRM2CA9
SCHEMBL9760799 0.81 BRD4 (0.37) BRD4GRM2
SCHEMBL10460973 0.81 BRD4 (0.39) BRD4ALDH1A1LMNA
SCHEMBL7613256 0.78 KMT2A (0.48) BRD4ALDH1A1CYP2D6CYP3A4CYP2C9
Hydrochloric Acid SCHEMBL10745965 0.76 BRD4 (0.36) BRD4
SCHEMBL9761664 0.75 BRD4 (0.47) BRD4ALDH1A1KDM4ECYP2C19LMNA
SCHEMBL9761584 0.74 BRD4 (0.36) BRD4CYP2D6CYP3A4CYP2C9CYP2C19
SCHEMBL9762147 0.74 BRD4 (0.43) BRD4CYP2C9

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-5066665-A Cognition activators; alzheimer*s disease WARNER-LAMBERT CO. (US) 1991-11-19 US disclosed