SCHEMBL31258232

SCHEMBL31258232

CC1Oc2ccccc2CC1C(N)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
PARP1 P09874 3/20 0.41
NISCH Q9Y2I1 1/20 0.41
GABRA1 P14867 2/20 0.40
GABRB2 P47870 2/20 0.40
AOC2 O75106 5/20 0.39
MAOA P21397 5/20 0.39
MAOB P27338 5/20 0.39
DAO P14920 1/20 0.39
ATM Q13315 1/20 0.38
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
DYRK1A Q13627 1/20 0.36
IGF1R P08069 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35

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
SCHEMBL30098429 0.79 AOC2 (0.39) HPGDTSHRPARP1NISCHGABRA1
SCHEMBL5023943 0.79 HPGD (0.39) HPGDTSHRPARP1NISCHGABRA1
SCHEMBL860446 0.78 HPGD (0.59) HPGDTSHRNISCHAOC2MAOA
SCHEMBL29974170 0.78 HPGD (0.59) HPGDTSHRNISCHAOC2MAOA
SCHEMBL31646098 0.77 AOC2 (0.40) HPGDTSHRNISCHGABRA1GABRB2
SCHEMBL28147404 0.74 MAOA (0.41) HPGDTSHRNISCHGABRA1GABRB2
SCHEMBL7313976 0.74 AOC2 (0.41) HPGDTSHRNISCHGABRA1GABRB2
SCHEMBL5015240 0.74 MMP3 (0.42) HPGDTSHRNISCHGABRA1GABRB2
SCHEMBL8504530 0.73 CHRM2 (0.41) HPGDTSHRNISCHGABRA1GABRB2
Hydrochloric Acid SCHEMBL10598707 0.73 AOC2 (0.43) HPGDTSHRNISCHGABRA1GABRB2

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-4698529-A1 BLOOD BRAIN BARRIER PENETRATING SELECTIVE INHIBITORS OF ROCK2 PROTEIN KINASES AND USES THEREOF Genosco Inc. (US) 2026-02-25 EP disclosed
WO-2024220173-A1 BLOOD BRAIN BARRIER PENETRATING SELECTIVE INHIBITORS OF ROCK2 PROTEIN KINASES AND USES THEREOF Genosco Inc. (US) 2024-10-24 WO disclosed