SCHEMBL30159720

SCHEMBL30159720

O=c1[nH]nc(CCc2ccccc2F)cc1O

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DAO P14920 6/20 0.57
AR P10275 1/20 0.46
KDM4E B2RXH2 2/20 0.41
HSP90AA1 P07900 1/20 0.40
GPR84 Q9NQS5 1/20 0.40
PARP1 P09874 2/20 0.39
CASR P41180 1/20 0.39
MPO P05164 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
HCAR3 P49019 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
AKR1B1 P15121 1/20 0.38

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
SCHEMBL14719422 1.00 DAO (0.57) DAOARKDM4EHSP90AA1GPR84
SCHEMBL16231893 0.89 CXCR2 (0.46) DAOARHSP90AA1AKR1B1
SCHEMBL14719562 0.87 AR (0.54) DAOARKDM4EHSP90AA1MPO
SCHEMBL16232018 0.85 DAO (0.41) DAOARKDM4EHSP90AA1PARP1
SCHEMBL30159648 0.84 DAO (0.48) DAO
SCHEMBL14718360 0.84 DAO (0.48) DAO
SCHEMBL16231938 0.84 DAO (0.40) DAOARHSP90AA1PARP1MPO
SCHEMBL16231891 0.84 DAO (0.42) DAOARHSP90AA1GPR84KMT2A
SCHEMBL14718767 0.84 DAO (0.46) DAOARKDM4EHSP90AA1PARP1
SCHEMBL16231916 0.83 DAO (0.40) DAOARHSP90AA1MPOMEN1

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
CN-115666526-A Oral solid preparation 武田药品工业株式会社 2023-01-31 CN disclosed