SCHEMBL31099115

SCHEMBL31099115

CNc1cc(OC)ncc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.39
MAPK10 P53779 1/20 0.39
NNMT P40261 1/20 0.35
MAPT P10636 2/20 0.35
MEN1 O00255 2/20 0.34
PABPC1 P11940 2/20 0.34
KMT2A Q03164 2/20 0.34
CYP3A4 P08684 2/20 0.33
TDO2 P48775 2/20 0.33
ERN1 O75460 1/20 0.33
CYP2C9 P11712 1/20 0.33
RPS6KA3 P51812 1/20 0.33
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33

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
SCHEMBL24050352 0.81 GABRP (0.36) MAPK8MAPK10MAPTGABRPGABRD
SCHEMBL17052897 0.78 NNMT (0.43) NNMTMEN1PABPC1KMT2AGABRP
SCHEMBL24045284 0.78 L3MBTL1 (0.39) MAPTMEN1KMT2ACYP2C9BACE1
SCHEMBL24554040 0.77 EGFR (0.40) NNMTMAPTMEN1PABPC1KMT2A
SCHEMBL28897534 0.76 CTSD (0.31) BACE1
SCHEMBL25882888 0.74 NNMT (0.47) NNMTMEN1PABPC1KMT2AGABRP
SCHEMBL11996768 0.74 NNMT (0.50) NNMTMAPTMEN1PABPC1KMT2A
SCHEMBL8118182 0.74 DRD1 (0.39) NNMTMAPTTDO2ERN1RPS6KA3
SCHEMBL23181522 0.74 UHRF1 (0.35) RPS6KA3
SCHEMBL12192175 0.73 NNMT (0.46) MAPK8MAPK10NNMTMAPTMEN1

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
WO-2024255412-A1 SPIRO HETEROCYCLIC COMPOUND AND USE THEREOF 广州必贝特医药股份有限公司 2024-12-19 WO disclosed
CN-118510780-A Spiro heterocyclic compounds and uses thereof 广州必贝特医药股份有限公司 2024-08-16 CN disclosed