SCHEMBL31489016

SCHEMBL31489016

NC1CC=C(c2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.41
CA2 P00918 4/20 0.41
CA9 Q16790 4/20 0.41
CA12 O43570 3/20 0.41
CA14 Q9ULX7 3/20 0.41
ALDH1A1 P00352 2/20 0.40
APP P05067 1/20 0.40
MAPT P10636 5/20 0.39
LMNA P02545 2/20 0.39
GAA P10253 3/20 0.38
POLB P06746 2/20 0.38
HRH2 P25021 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
SLC6A4 P31645 1/20 0.38
LOXL2 Q9Y4K0 1/20 0.37
CA3 P07451 1/20 0.37
CA4 P22748 1/20 0.37
CA6 P23280 1/20 0.37
CA5A P35218 1/20 0.37
CA7 P43166 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
SCHEMBL9122080 0.79 APP (0.50) CA1CA2CA9CA12CA14
SCHEMBL19808113 0.74 ESR2 (0.39) LMNAHRH2HRH3SLC6A4ACHE
SCHEMBL5151774 0.74 SIGMAR1 (0.43)
SCHEMBL3710183 0.74 EPHX1 (0.45) ALDH1A1MAPTLMNAGAAPOLB
SCHEMBL14336758 0.73 PLAU (0.41)
SCHEMBL19359153 0.72 PARP10 (0.42) CA1CA2CA9CA12CA14
SCHEMBL2573156 0.70 THRB (0.49) CA1CA2CA9CA12CA14
SCHEMBL19808114 0.70 ESR2 (0.39) CA2ALDH1A1GAAPOLB
SCHEMBL2650048 0.69 MAPT (0.46) CA1CA2CA9CA12CA14
SCHEMBL32677505 0.68 CA1 (0.44) CA1CA2CA9CA12CA14

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-2025072437-A1 HETEROARYL COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS ALPHINA THERAPEUTICS, INC. (US) 2025-04-03 WO disclosed