SCHEMBL11229247

SCHEMBL11229247

NCCNCc1cc(Cl)c(Cl)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 2/20 0.46
▸ CHRM2 P08172 2/20 0.41
▸ HTT P42858 2/20 0.39
▸ MC4R P32245 2/20 0.38
▸ MC5R P33032 2/20 0.38
▸ CA12 O43570 3/20 0.36
▸ CA6 P23280 3/20 0.36
▸ CA7 P43166 3/20 0.36
▸ CA9 Q16790 3/20 0.36
▸ CA14 Q9ULX7 3/20 0.36
▸ CA5B Q9Y2D0 3/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ LMNA P02545 2/20 0.35
▸ TDP1 Q9NUW8 2/20 0.35
▸ CA2 P00918 2/20 0.35
▸ CA3 P07451 2/20 0.35
▸ CA4 P22748 2/20 0.35
▸ CA5A P35218 2/20 0.35

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
SCHEMBL11223432 0.80 HTT (0.60) SIGMAR1CHRM2HTTKMT2AMEN1
SCHEMBL29605115 0.79 CA12 (0.50) SIGMAR1CHRM2MC4RMC5RCA12
SCHEMBL11238764 0.79 HTT (0.46) SIGMAR1CHRM2HTTMC4RMC5R
SCHEMBL4707653 0.77 P2RX7 (0.42) SIGMAR1CHRM2HTTLMNATP53
SCHEMBL10863825 0.76 SIGMAR1 (0.37) SIGMAR1CHRM2HTTMC4RMC5R
SCHEMBL4706607 0.75 CHRM2 (0.71) CHRM2HTTMC4RMC5RCA12
Hydrochloric Acid SCHEMBL4707535 0.73 CHRM2 (0.69) CHRM2HTTMC4RMC5RCA12
Hydrochloric Acid SCHEMBL4708205 0.73 CHRM2 (0.69) CHRM2HTTMC4RMC5RCA12
SCHEMBL10862494 0.73 SIGMAR1 (0.35) SIGMAR1CHRM2HTTMC4RMC5R
SCHEMBL11622816 0.73 MAPK1 (0.33) HTTALOX15ALDH1A1KDM4ECYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4315846-A FUNGICIDES TOKYO ORGANIC CHEMICAL INDUSTRIES, LTD. (JP) 1982-02-16 — — US disclosed
EP-0037861-A1 Salts of alkylenebisdithiocarbamic acid derivatives, processes for their preparation, fungicidal compositions containing them and methods of combating fungi TOKYO ORGANIC CHEMICAL INDUSTRIES, LTD. (JP) 1981-10-21 — — EP disclosed
US-3960538-A INHIBITION OF ALGAE MILLMASTER ONYX CORPORATION (US) 1976-06-01 — — US disclosed
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