SCHEMBL29675989

SCHEMBL29675989

Nc1cc(Cl)c(Cl)c(Br)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 7/20 0.50
ALDH1A1 P00352 3/20 0.50
GAA P10253 2/20 0.50
MAPT P10636 1/20 0.50
THRB P10828 2/20 0.46
TSHR P16473 3/20 0.40
TP53 P04637 1/20 0.39
CA1 P00915 3/20 0.36
CA2 P00918 3/20 0.36
CA9 Q16790 2/20 0.34
AHR P35869 3/20 0.32
HPGD P15428 3/20 0.32
HSD17B10 Q99714 3/20 0.32
CASP1 P29466 2/20 0.32
CRHBP P24387 1/20 0.32
CRHR2 Q13324 1/20 0.32
CA12 O43570 1/20 0.31
LMNA P02545 1/20 0.31
CYP2C9 P11712 1/20 0.31
CA4 P22748 1/20 0.31

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
SCHEMBL21050901 1.00 CYP3A4 (0.50) CYP3A4ALDH1A1GAAMAPTTHRB
SCHEMBL7585628 0.86 GAA (0.58) CYP3A4ALDH1A1GAAMAPTTHRB
SCHEMBL330561 0.80 CYP3A4 (0.65) CYP3A4ALDH1A1GAATHRBTSHR
SCHEMBL525650 0.79 CYP3A4 (0.65) CYP3A4ALDH1A1GAAMAPTTHRB
SCHEMBL28421611 0.77 CYP3A4 (0.61) CYP3A4ALDH1A1GAATHRBTSHR
Hydrochloric Acid SCHEMBL8840292 0.77 CYP3A4 (0.61) CYP3A4ALDH1A1GAATHRBTSHR
SCHEMBL24616492 0.75 CYP3A4 (0.52) CYP3A4ALDH1A1GAAMAPTTHRB
SCHEMBL9933014 0.75 THRB (0.68) CYP3A4ALDH1A1GAAMAPTTHRB
SCHEMBL21050751 0.75 GAA (0.46) CYP3A4ALDH1A1GAAMAPTTHRB
SCHEMBL24616493 0.75 CYP3A4 (0.46) CYP3A4ALDH1A1GAAMAPTTHRB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119948015-A Novel sulfonamides and their use as neuroprotective and/or nerve repair agents 基因密码公司 2025-05-06 CN disclosed
CN-119894875-A [4- [5- (Methylsulfonyl) -phenyl ] piperazin-1-yl ] - (phenyl) methanone derivatives and similar compounds having gfrα1-RET activity as neuroprotective agents for the treatment of neurological disorders 基因密码公司 2025-04-25 CN disclosed
CN-117320550-A Weed control method 先正达农作物保护股份公司 2023-12-29 CN disclosed
WO-2022148421-A1 BRIDGED COMPOUNDS AS KRAS G12D INHIBITOR AND DEGRADER AND THE USE THEREOF BEIGENE, LTD. (KY) 2022-07-14 WO disclosed