SCHEMBL28495261

SCHEMBL28495261

Oc1nc(Cl)c(Cl)cc1Cl.[KH]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 7/20 0.38
TSHR P16473 6/20 0.38
HPGD P15428 5/20 0.38
CASP1 P29466 1/20 0.38
MAPK1 P28482 3/20 0.35
TDP1 Q9NUW8 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CYP3A4 P08684 5/20 0.32
ALDH1A1 P00352 2/20 0.32
RECQL P46063 2/20 0.32
CRHBP P24387 1/20 0.32
CRHR2 Q13324 1/20 0.32
TTR P02766 1/20 0.32
MAPT P10636 3/20 0.32
ALOX15 P16050 2/20 0.32
ALOX12 P18054 2/20 0.32
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NPC1 O15118 1/20 0.30

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
SCHEMBL29846179 0.97 HSD17B10 (0.39) HSD17B10TSHRHPGDCASP1MAPK1
SCHEMBL1168410 0.97 HSD17B10 (0.39) HSD17B10TSHRHPGDCASP1MAPK1
Ammonia Solution, Strong SCHEMBL30585161 0.95 HSD17B10 (0.38) HSD17B10TSHRHPGDCASP1MAPK1
SCHEMBL9487102 0.95 HSD17B10 (0.38) HSD17B10TSHRHPGDCASP1MAPK1
SCHEMBL9487109 0.95 HSD17B10 (0.38) HSD17B10TSHRHPGDCASP1MAPK1
Ammonia Solution, Strong SCHEMBL25394725 0.95 HSD17B10 (0.38) HSD17B10TSHRHPGDCASP1MAPK1
SCHEMBL30097824 0.95 HSD17B10 (0.38) HSD17B10TSHRHPGDCASP1MAPK1
SCHEMBL2366051 0.76 TDP1 (0.41) HSD17B10TSHRHPGDCASP1MAPK1
SCHEMBL17703481 0.75 CYP3A4 (0.37) HSD17B10TSHRMAPK1TDP1MEN1
SCHEMBL11294968 0.72 MAPT (0.38) HSD17B10TSHRHPGDCASP1MAPK1

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-112143027-A Flame-retardant plasticizer containing phosphotriester compound and 3,5, 6-trichloropyridine-2-alcohol compound and preparation thereof 赵东源 2020-12-29 CN claimed