SCHEMBL28107672

SCHEMBL28107672

Cn1c2ccccc2c2c(-c3ccccc3)cc(-c3ccc(F)cc3)cc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.46
ATM Q13315 1/20 0.44
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
GPR3 P46089 1/20 0.41
MAPK14 Q16539 1/20 0.40
NPSR1 Q6W5P4 2/20 0.40
HPGD P15428 3/20 0.39
RXFP1 Q9HBX9 1/20 0.38
PDE10A Q9Y233 1/20 0.38
PTGS1 P23219 2/20 0.38
PTGS2 P35354 2/20 0.38
KMT2A Q03164 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
ALDH1A1 P00352 3/20 0.37
TOP2A P11388 1/20 0.37
MAPT P10636 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 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
SCHEMBL22544312 0.91 HSD17B10 (0.53) HSD17B10RXRARXRBGPR3HPGD
SCHEMBL28107378 0.86 HSD17B10 (0.46) HSD17B10RXRARXRBGPR3HPGD
SCHEMBL28107676 0.86 HSD17B10 (0.46) HSD17B10RXRARXRBGPR3NPSR1
SCHEMBL28107376 0.84 L3MBTL1 (0.51) HSD17B10NPSR1HPGDKMT2ASMN1; SMN2
SCHEMBL28107677 0.82 HSD17B10 (0.44) HSD17B10RXRARXRBGPR3HPGD
SCHEMBL28107373 0.78 CYP2A6 (0.47) HSD17B10RXRARXRBGPR3MAPK14
SCHEMBL28319588 0.78 HSD17B10 (0.46) HSD17B10GPR3HPGDKMT2AALDH1A1
SCHEMBL28107372 0.77 HSD17B10 (0.43) HSD17B10RXRARXRBGPR3HPGD
SCHEMBL28107427 0.76 HSD17B10 (0.43) HSD17B10ATMGPR3MAPK14NPSR1
SCHEMBL22499353 0.75 GPR3 (0.47) HSD17B10ATMRXRARXRBGPR3

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-106117113-B Polysubstituted carbazole, derivative and its synthetic method 湘潭大学 2019-08-16 CN disclosed
CN-106117113-A Polysubstituted carbazole, derivant and synthetic method thereof 湘潭大学 2016-11-16 CN disclosed