SCHEMBL28107676

SCHEMBL28107676

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.46
ACHE P22303 3/20 0.42
ALDH1A1 P00352 3/20 0.42
MAPK1 P28482 1/20 0.42
BCHE P06276 1/20 0.42
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
GPR3 P46089 1/20 0.41
HPGD P15428 2/20 0.39
CDK4 P11802 1/20 0.38
CCND1 P24385 1/20 0.38
CAMK2B Q13554 1/20 0.38
CAMK2G Q13555 1/20 0.38
CAMK2D Q13557 1/20 0.38
CAMK2A Q9UQM7 1/20 0.38
TOP2A P11388 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CHEK1 O14757 1/20 0.37
WEE1 P30291 1/20 0.37
EGFR P00533 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) HSD17B10ALDH1A1RXRARXRBGPR3
SCHEMBL28107378 0.86 HSD17B10 (0.46) HSD17B10ACHEALDH1A1BCHERXRA
SCHEMBL28107672 0.86 HSD17B10 (0.46) HSD17B10ALDH1A1RXRARXRBGPR3
SCHEMBL28107380 0.86 CHEK1 (0.41) HSD17B10ALDH1A1MAPK1CHEK1WEE1
SCHEMBL28107376 0.84 L3MBTL1 (0.51) HSD17B10ACHEALDH1A1BCHEHPGD
SCHEMBL28107677 0.82 HSD17B10 (0.44) HSD17B10ALDH1A1RXRARXRBGPR3
SCHEMBL28107671 0.81 L3MBTL1 (0.43) HSD17B10ALDH1A1HPGDL3MBTL1RET
SCHEMBL28319588 0.78 HSD17B10 (0.46) HSD17B10ALDH1A1GPR3HPGDTOP2A
SCHEMBL28107373 0.78 CYP2A6 (0.47) HSD17B10ALDH1A1RXRARXRBGPR3
SCHEMBL28107372 0.77 HSD17B10 (0.43) HSD17B10ALDH1A1RXRARXRBGPR3

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