SCHEMBL31331748

SCHEMBL31331748

Nc1ccc2ccc(=O)oc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 11/20 0.59
CA9 Q16790 11/20 0.59
KDM4E B2RXH2 8/20 0.59
CA1 P00915 8/20 0.59
ALDH1A1 P00352 7/20 0.59
HSD17B10 Q99714 6/20 0.59
GLA P06280 6/20 0.59
GAA P10253 6/20 0.59
HPGD P15428 5/20 0.59
MCL1 Q07820 5/20 0.59
CASP1 P29466 4/20 0.59
CASP7 P55210 4/20 0.59
AKR1B1 P15121 3/20 0.59
TDP1 Q9NUW8 3/20 0.59
ERAP1 Q9NZ08 2/20 0.59
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
CA4 P22748 6/20 0.54
CA7 P43166 6/20 0.54
CA14 Q9ULX7 6/20 0.54

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
SCHEMBL456597 1.00 CA12 (0.59) CA12CA9KDM4ECA1ALDH1A1
Methane SCHEMBL9701241 0.98 CA12 (0.57) CA12CA9KDM4ECA1ALDH1A1
Ammonia Solution, Strong SCHEMBL27680863 0.98 CA12 (0.57) CA12CA9KDM4ECA1ALDH1A1
Hydrochloric Acid SCHEMBL28555105 0.98 CA12 (0.57) CA12CA9KDM4ECA1ALDH1A1
SCHEMBL17731841 0.89 CYP19A1 (0.53) CA12CA9KDM4ECA1ALDH1A1
Ether SCHEMBL27761930 0.86 CA9 (0.58) CA12CA9KDM4ECA1ALDH1A1
SCHEMBL29441432 0.85 CA12 (0.60) CA12CA9KDM4ECA1ALDH1A1
SCHEMBL483027 0.85 CA12 (0.60) CA12CA9KDM4ECA1ALDH1A1
SCHEMBL29625983 0.84 ALDH1A1 (0.50) CA12CA9KDM4ECA1ALDH1A1
SCHEMBL31711220 0.84 CA12 (0.46) CA12CA9KDM4ECA1ALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119285594-A 7-Aminobenzopyrone or 7-aminoquinolinone compound and application thereof 浙江大学金华研究院 2025-01-10 CN claimed
CN-119285594-A 7-Aminobenzopyrone or 7-aminoquinolinone compound and application thereof 浙江大学金华研究院 2025-01-10 CN disclosed
CN-119285594-A 7-Aminobenzopyrone or 7-aminoquinolinone compound and application thereof 浙江大学金华研究院 2025-01-10 CN disclosed
CN-119285594-A 7-Aminobenzopyrone or 7-aminoquinolinone compound and application thereof 浙江大学金华研究院 2025-01-10 CN disclosed