SCHEMBL31335752

SCHEMBL31335752

O=[N+]([O-])c1cc2c(cc1Br)CCNC2

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.60
ALDH1A1 P00352 1/20 0.60
PNMT P11086 9/20 0.54
ADRA2A P08913 3/20 0.54
ASIC3 Q9UHC3 1/20 0.45
ADRA2B P18089 2/20 0.43
ADRA2C P18825 2/20 0.43
HTR2A P28223 2/20 0.41
HTR2C P28335 2/20 0.41
HTR2B P41595 2/20 0.41
TYMS P04818 1/20 0.40
PKM P14618 1/20 0.37

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
SCHEMBL29557821 1.00 MAPT (0.60) MAPTALDH1A1PNMTADRA2AASIC3
SCHEMBL417912 1.00 MAPT (0.60) MAPTALDH1A1PNMTADRA2AASIC3
SCHEMBL30997742 0.82 ALDH1A1 (0.61) MAPTALDH1A1TYMSPKM
SCHEMBL22028064 0.82 ALDH1A1 (0.61) MAPTALDH1A1TYMSPKM
SCHEMBL8258918 0.82 PNMT (0.55) MAPTALDH1A1PNMTADRA2AASIC3
SCHEMBL24040085 0.81 PNMT (0.54) MAPTALDH1A1PNMTADRA2AASIC3
SCHEMBL24869958 0.81 PNMT (0.54) MAPTALDH1A1PNMTADRA2AADRA2B
SCHEMBL13875069 0.81 PNMT (0.54) MAPTALDH1A1PNMTADRA2AASIC3
SCHEMBL18875031 0.81 PNMT (0.54) MAPTALDH1A1PNMTADRA2AASIC3
SCHEMBL18875034 0.81 PNMT (0.54) MAPTALDH1A1PNMTADRA2AASIC3

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