SCHEMBL24716655

SCHEMBL24716655

COc1ccc(C)c2c(C(F)(F)F)cc(=O)[nH]c12

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 6/20 0.61
CYP19A1 P11511 5/20 0.61
AR P10275 6/20 0.44
MAPT P10636 3/20 0.43
HPGD P15428 3/20 0.43
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 2/20 0.41
POLB P06746 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GAA P10253 1/20 0.41
PKM P14618 1/20 0.41
HSD17B10 Q99714 1/20 0.40
PGR P06401 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
SCHEMBL30626606 1.00 NQO2 (0.61) NQO2CYP19A1ARMAPTHPGD
SCHEMBL23015612 0.77 NQO2 (1.00) NQO2CYP19A1ARMAPTHPGD
SCHEMBL30275436 0.75 NQO2 (0.64) NQO2CYP19A1ARMAPTHPGD
SCHEMBL24715739 0.75 NQO2 (0.64) NQO2CYP19A1ARMAPTHPGD
SCHEMBL6678542 0.74 NQO2 (0.65) NQO2CYP19A1ARHPGDALDH1A1
SCHEMBL6676714 0.73 AR (0.50) NQO2CYP19A1ARHPGDALDH1A1
SCHEMBL6682273 0.71 NQO2 (0.44) NQO2CYP19A1ARMAPTHPGD
SCHEMBL6677205 0.70 AR (0.41) NQO2CYP19A1ARMAPTHPGD
SCHEMBL6671371 0.70 NQO2 (0.56) NQO2CYP19A1MAPTHPGDALDH1A1
SCHEMBL13480899 0.70 AR (0.50) ARMAPTHPGDALDH1A1KDM4E

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
WO-2022253152-A1 7-NITRO-8-HYDROXYQUINOLINE DERIVATIVE, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF 江苏亚虹医药科技股份有限公司 2022-12-08 WO disclosed