SCHEMBL11516289

SCHEMBL11516289

CC[n+]1c(C=CN(C)C)sc2ccccc21.Cl[Zn-](Cl)Cl

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ INSR P06213 5/20 0.60
▸ APP P05067 2/20 0.57
▸ KMT2A Q03164 8/20 0.54
▸ MAPT P10636 8/20 0.54
▸ HTT P42858 7/20 0.54
▸ MEN1 O00255 7/20 0.54
▸ THRB P10828 3/20 0.54
▸ LMNA P02545 3/20 0.54
▸ MMP14 P50281 1/20 0.54
▸ NPC1 O15118 7/20 0.53
▸ RAB9A P51151 7/20 0.53
▸ NPSR1 Q6W5P4 3/20 0.53
▸ L3MBTL1 Q9Y468 2/20 0.53
▸ PKM P14618 2/20 0.53
▸ NSD2 O96028 1/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ RXFP1 Q9HBX9 1/20 0.53
▸ ALDH1A1 P00352 5/20 0.52
▸ ALOX12 P18054 2/20 0.52
▸ CTNNB1 P35222 2/20 0.52

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
SCHEMBL11516285 1.00 INSR (0.60) INSRAPPKMT2AMAPTHTT
SCHEMBL12611251 0.81 INSR (0.63) INSRAPPKMT2AMAPTHTT
Hydrochloric Acid SCHEMBL11516462 0.80 INSR (0.67) INSRAPPKMT2AMAPTHTT
Hydrochloric Acid SCHEMBL11516460 0.80 INSR (0.67) INSRAPPKMT2AMAPTHTT
Hydrochloric Acid SCHEMBL11515680 0.78 INSR (0.66) INSRAPPKMT2AMAPTHTT
Hydrochloric Acid SCHEMBL11516278 0.78 INSR (0.49) INSRAPPKMT2AMAPTHTT
Hydrochloric Acid SCHEMBL11516276 0.78 INSR (0.49) INSRAPPKMT2AMAPTHTT
Hydrochloric Acid SCHEMBL11515678 0.78 INSR (0.66) INSRAPPKMT2AMAPTHTT
SCHEMBL16800102 0.78 MAPT (0.63) INSRAPPKMT2AMAPTHTT
SCHEMBL17322556 0.76 INSR (0.75) INSRAPPKMT2AMAPTHTT

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
US-4145537-A BENZOTHIAZOLIUM DYES BAYER AKTIENGESELLSCHAFT (DE) 1979-03-20 — — US disclosed
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