SCHEMBL31522203

SCHEMBL31522203

Cc1cc(O)n(-c2ccc(C#N)cc2)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC34A1 Q06495 1/20 0.47
PKM P14618 1/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.43
MAPT P10636 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CYP1A2 P05177 1/20 0.42
MAPK1 P28482 1/20 0.42
CYP2C19 P33261 1/20 0.42
AR P10275 1/20 0.42
FCGR1A P12314 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
CYP2A6 P11509 1/20 0.41
CA12 O43570 1/20 0.41
CA2 P00918 1/20 0.41
CA3 P07451 1/20 0.41
CA6 P23280 1/20 0.41
CA9 Q16790 1/20 0.41

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
SCHEMBL378335 0.84 SLC34A1 (0.57) SLC34A1KDM4EALDH1A1MAPTNPSR1
SCHEMBL11441588 0.82 CYP1A2 (0.47) ALDH1A1MAPTNPSR1CYP1A2MAPK1
SCHEMBL28620570 0.82 MAPK1 (0.47) KDM4EALDH1A1MAPTNPSR1TDP1
SCHEMBL14353427 0.81 CYP1A2 (0.62) SLC34A1PKMALDH1A1MAPTCYP1A2
SCHEMBL6673467 0.80 NPC1 (0.71) KDM4EALDH1A1MAPTCYP1A2MAPK1
SCHEMBL3225544 0.80 TSHR (0.46) SLC34A1PKMKDM4EALDH1A1
SCHEMBL200831 0.80 MAPK1 (0.63) KDM4EALDH1A1MAPTCYP1A2MAPK1
SCHEMBL10712366 0.79 CYP1A2 (0.53) PKMALDH1A1MAPTCYP1A2MAPK1
SCHEMBL30490040 0.79 MAPT (0.47) SLC34A1KDM4EALDH1A1MAPTCYP1A2
SCHEMBL11436903 0.79 MAPK1 (0.44) KDM4EALDH1A1MAPTNPSR1TDP1

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-119930520-A N-aryl pyrazole compound, and pharmaceutical composition and application thereof 中国药科大学 2025-05-06 CN disclosed