SCHEMBL11111087

SCHEMBL11111087

c1ccc2c(c1)CN(NN1Cc3ccccc3S1)S2

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ RYR2 Q92736 6/20 0.37
▸ SIGMAR1 Q99720 1/20 0.32
▸ HSD17B3 P37058 1/20 0.31
▸ MAOA P21397 1/20 0.30
▸ MAOB P27338 1/20 0.30
▸ HTR2C P28335 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
SCHEMBL6981659 0.83 RYR2 (0.38) RYR2SIGMAR1
SCHEMBL10967062 0.79 RYR2 (0.36) RYR2HSD17B3
SCHEMBL16095582 0.71 SDCBP (0.40) RYR2HSD17B3
SCHEMBL17185647 0.71 RYR2 (0.36) RYR2SIGMAR1HSD17B3MAOAMAOB
SCHEMBL19674181 0.71 RYR2 (0.40) RYR2SIGMAR1HSD17B3MAOAMAOB
SCHEMBL31146716 0.71 RYR2 (0.36) RYR2SIGMAR1HSD17B3MAOAMAOB
SCHEMBL6969929 0.71 RYR2 (0.40) RYR2SIGMAR1HSD17B3MAOAMAOB
SCHEMBL11118465 0.71 RYR2 (0.40) RYR2SIGMAR1HSD17B3MAOAMAOB
SCHEMBL3894929 0.71 RYR2 (0.36) RYR2SIGMAR1HSD17B3MAOAMAOB
SCHEMBL11217635 0.71 MAOA (0.40) RYR2SIGMAR1HSD17B3MAOAMAOB

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
EP-0029940-B1 PROCESS FOR THE PREPARATION OF 2,2'-IMINO-BIS BENZOTHIAZOLE COMPOUNDS HOECHST AKTIENGESELLSCHAFT (DE) 1984-03-14 — — EP disclosed
EP-0029940-A1 Process for the preparation of 2,2'-imino-bis benzothiazole compounds HOECHST AKTIENGESELLSCHAFT (DE) 1981-06-10 — — EP disclosed
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