SCHEMBL20094516

SCHEMBL20094516

C=C(/C=C(\C)C(=O)NCC)NC(C)=O

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
CACNA1C Q13936 1/20 0.32
SCN5A Q14524 1/20 0.32
PLAAT3 P53816 1/20 0.30
PLAAT5 Q96KN8 1/20 0.30
PLAAT2 Q9NWW9 1/20 0.30
PLAAT4 Q9UL19 1/20 0.30

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
SCHEMBL20094529 0.78 CRBN (0.32)
SCHEMBL5176269 0.75 ALDH1A1 (0.47) ALDH1A1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL7743899 0.75 CRBN (0.33) CACNA1CSCN5APLAAT3PLAAT5PLAAT2
SCHEMBL5176262 0.74 POLB (0.35) ALDH1A1
SCHEMBL5176267 0.74 POLB (0.35) ALDH1A1
SCHEMBL20094695 0.73 TSHR (0.38) ALDH1A1
SCHEMBL5176358 0.72 CYP2C9 (0.33) ALDH1A1
SCHEMBL909866 0.72
SCHEMBL15502243 0.72
SCHEMBL14553254 0.72

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-2018075842-A1 CONDENSED BENZODIAZEPINE DERIVATIVES AND CONJUGATES MADE THEREFROM BRISTOL-MYERS SQUIBB COMPANY (US) 2018-04-26 WO disclosed