SCHEMBL31336038

SCHEMBL31336038

Cc1ccc2c(c1Br)CNC2

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 5/20 0.38
PNMT P11086 2/20 0.33
ASIC3 Q9UHC3 1/20 0.33
HTR2A P28223 3/20 0.32
HTR2B P41595 3/20 0.32
KIF11 P52732 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
SCHEMBL21500484 1.00 HTR2C (0.38) HTR2CPNMTASIC3HTR2AHTR2B
SCHEMBL21525908 0.78 KIF11 (0.42) HTR2CPNMTHTR2AHTR2BKIF11
SCHEMBL11442883 0.78 HTR2C (0.40) HTR2CPNMTASIC3HTR2AHTR2B
SCHEMBL29750085 0.78 KIF11 (0.42) HTR2CPNMTHTR2AHTR2BKIF11
SCHEMBL11443157 0.75 PNMT (0.44) HTR2CPNMTASIC3HTR2AHTR2B
SCHEMBL19358009 0.75 CD44 (0.40) HTR2CPNMTASIC3HTR2AHTR2B
SCHEMBL19406884 0.75 HTR2C (0.38) HTR2CHTR2AHTR2BKIF11
SCHEMBL11198207 0.71 HTR2C (0.38) HTR2CKIF11
SCHEMBL31498400 0.70 PNMT (0.34) PNMTASIC3
SCHEMBL30778182 0.70 CES1 (0.41) KIF11

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-4720038-A1 (HETERO)ARYL-CARBONYL-HETEROBICYCLIC COMPOUNDS AS INHIBITORS OF PMS2 FOR CANCER AND DEGENERATIVE ILLNESSES Neophore Limited (GB) 2026-04-08 EP disclosed
WO-2024246496-A1 (HETERO)ARYL-CARBONYL-HETEROBICYCLIC COMPOUNDS AS INHIBITORS OF PMS2 FOR CANCER AND DEGENERATIVE ILLNESSES Neophore Limited (GB) 2024-12-05 WO disclosed