SCHEMBL28860962

SCHEMBL28860962

c1ccc2c(Nc3cccc4c5ccccc5n(-c5cccc6ccccc56)c34)cccc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.46
CDC25B P30305 2/20 0.46
ALDH1A1 P00352 2/20 0.46
TP53 P04637 1/20 0.46
CYP3A4 P08684 1/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
ATM Q13315 1/20 0.46
BACE1 P56817 1/20 0.40
FADS1 O60427 1/20 0.40
RAB9A P51151 1/20 0.39
MAPK1 P28482 2/20 0.38
NPC1 O15118 1/20 0.38
EPHX2 P34913 1/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
CCR4 P51679 1/20 0.37
GSK3A P49840 1/20 0.37

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
SCHEMBL28979150 0.88 ALKBH5 (0.43) ALDH1A1TP53HPGDCNR1CNR2
SCHEMBL28979151 0.86 KDM4E (0.50) HSD17B10CDC25BALDH1A1TP53CYP3A4
SCHEMBL21566359 0.81 TDP1 (0.49) HSD17B10ALDH1A1HPGDTSHRATM
SCHEMBL490357 0.80 FADS1 (0.49) HSD17B10CDC25BALDH1A1TP53CYP3A4
SCHEMBL490291 0.79 ALDH1A1 (0.50) HSD17B10ALDH1A1HPGDTSHRATM
SCHEMBL29476055 0.79 ALDH1A1 (0.50) HSD17B10ALDH1A1HPGDTSHRATM
SCHEMBL28956380 0.79 KDM4E (0.45) HSD17B10CDC25BALDH1A1TP53CYP3A4
SCHEMBL20149454 0.78 POLB (0.49) HSD17B10ALDH1A1HPGDTSHRATM
SCHEMBL14666574 0.78 TDP1 (0.50) HSD17B10ALDH1A1HPGDTSHRATM
Benzene SCHEMBL28312148 0.77 ALDH1A1 (0.53) HSD17B10ALDH1A1HPGDTSHRATM

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
CN-108129382-B Carbazole derivative and application thereof 北京鼎材科技有限公司 2022-07-19 CN disclosed
CN-108129382-A Carbazole derivates and its application 北京鼎材科技有限公司 2018-06-08 CN disclosed