SCHEMBL28514477

SCHEMBL28514477

COC(=O)Cn1ccnc1.F[B-](F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.53
KDM4E B2RXH2 1/20 0.49
AHR P35869 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
CYP19A1 P11511 2/20 0.43
EGLN3 Q9H6Z9 1/20 0.42

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
SCHEMBL2853083 0.93 ALDH1A1 (0.60) ALDH1A1KDM4EAHRNPSR1CYP19A1
SCHEMBL28982010 0.79 ALDH1A1 (0.85) ALDH1A1CYP19A1EGLN3
SCHEMBL45903 0.76 EGLN3 (0.62) ALDH1A1EGLN3
SCHEMBL563845 0.76 ALDH1A1 (0.56) ALDH1A1CYP19A1EGLN3
SCHEMBL6262180 0.76 ALDH1A1 (0.56) ALDH1A1KDM4EAHRNPSR1CYP19A1
Hydrochloric Acid SCHEMBL27678497 0.75 ALDH1A1 (0.55) ALDH1A1CYP19A1EGLN3
SCHEMBL4151455 0.75 ALDH1A1 (0.55) ALDH1A1CYP19A1EGLN3
SCHEMBL7853678 0.73 ALDH1A1 (0.44) ALDH1A1KDM4EAHRNPSR1CYP19A1
SCHEMBL26528214 0.73 TBXAS1 (0.57) ALDH1A1EGLN3
SCHEMBL27802875 0.73 ALDH1A1 (0.53) ALDH1A1KDM4ECYP19A1EGLN3

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
CN-107722314-B Preparation method of thermoplastic polyimide composite material 湖北鼎龙控股股份有限公司 2020-12-22 CN disclosed