SCHEMBL28126458

SCHEMBL28126458

Cc1cccc(CN)c1.O=S(=O)(Cl)Cl

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.55
IDO1 P14902 2/20 0.48
PNMT P11086 1/20 0.48
MAPT P10636 2/20 0.44
TP53 P04637 1/20 0.44
POLB P06746 1/20 0.44
ENPP2 Q13822 1/20 0.44
LOXL2 Q9Y4K0 2/20 0.43
HTR6 P50406 1/20 0.42
F2 P00734 1/20 0.42
PSIP1 O75475 1/20 0.41
ACHE P22303 1/20 0.41

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
SCHEMBL30125569 0.88
SCHEMBL39821 0.88
Bromide SCHEMBL31513721 0.86 TAAR1 (0.65) TAAR1IDO1PNMTENPP2LOXL2
Hydrochloric Acid SCHEMBL5270663 0.86 TAAR1 (0.65) TAAR1IDO1PNMTENPP2LOXL2
SCHEMBL5508918 0.82 TAAR1 (0.61) TAAR1IDO1PNMTMAPTTP53
Dimethylamine SCHEMBL5376380 0.82 TAAR1 (0.61) TAAR1IDO1PNMTENPP2LOXL2
SCHEMBL19391340 0.81 TAAR1 (0.59) TAAR1IDO1PNMTENPP2LOXL2
Trifluoromethanesulfonic Acid SCHEMBL28600105 0.81 TAAR1 (0.47) TAAR1IDO1PNMTPOLBENPP2
Acetic Acid SCHEMBL19093084 0.81 TAAR1 (0.55) TAAR1IDO1POLBENPP2LOXL2
SCHEMBL28070798 0.79 PSIP1 (0.52) TAAR1IDO1MAPTTP53LOXL2

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-106455565-A Use of substituted oxotetrahydroquinoline sulfonamides or salts thereof for increasing stress tolerance in plants 拜耳作物科学股份公司 2017-02-22 CN disclosed