SCHEMBL24329565

SCHEMBL24329565

OC1NCc2cccc3c(Br)ccc1c23

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.33
CYP1B1 Q16678 4/20 0.32
CYP1A2 P05177 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
SCHEMBL16224765 0.76 PARP1 (0.40) CYP1A2
SCHEMBL24330025 0.72 PNMT (0.45) PNMTCYP1B1CYP1A2
SCHEMBL29583068 0.72 PNMT (0.45) PNMTCYP1B1CYP1A2
SCHEMBL22549751 0.70 MEN1 (0.39) CYP1B1CYP1A2
SCHEMBL3583212 0.70 CYP1B1 (0.33) PNMTCYP1B1CYP1A2
SCHEMBL359803 0.69 CHRNB2 (0.44) CYP1A2
SCHEMBL14395237 0.69 CHRNB2 (0.44) CYP1A2
SCHEMBL29568322 0.69 CHRNB2 (0.44) CYP1A2
Bromide SCHEMBL3966126 0.67 CHRNB2 (0.42) CYP1A2
Hydrochloric Acid SCHEMBL27585427 0.67 MAPT (0.44) CYP1A2

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-2022081928-A1 TRICYCLIC HETEROBIFUNCTIONAL COMPOUNDS FOR DEGRADATION OF TARGETED PROTEINS C4 THERAPEUTICS, INC. (US) 2022-04-21 WO disclosed