SCHEMBL18774359

SCHEMBL18774359

CCOc1cc(/C=C/c2cc[n+](CCSc3nccn3C)cc2)ccc1NC

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ APP P05067 2/20 0.34
▸ POLB P06746 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ RGS12 O14924 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ TP53 P04637 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ MAP2K1 Q02750 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
SCHEMBL21005614 0.77 KDM4E (0.39) SMN1; SMN2RAB9APOLBALDH1A1NPC1
SCHEMBL13694979 0.75 KDM4A (0.47) SMN1; SMN2RAB9AAPPPOLBALDH1A1
SCHEMBL14401399 0.72 TUBB1 (0.42) RAB9APOLBNPC1
SCHEMBL15581674 0.71 CHRM2 (0.40) SMN1; SMN2RAB9APOLBALDH1A1NPC1
SCHEMBL15624278 0.71 CTSZ (0.41) RAB9APOLBALDH1A1NPC1MAPT
SCHEMBL16538525 0.71 KMT2A (0.43) SMN1; SMN2RAB9APOLBALDH1A1NPC1
SCHEMBL16538523 0.71 KMT2A (0.43) SMN1; SMN2RAB9APOLBALDH1A1NPC1
SCHEMBL19649133 0.67 POLB (0.36) SMN1; SMN2RAB9APOLBALDH1A1NPC1
SCHEMBL13695034 0.67 ALDH1A1 (0.42) SMN1; SMN2RAB9APOLBALDH1A1NPC1
SCHEMBL15581675 0.66 CTSZ (0.39) RAB9APOLBALDH1A1NPC1MAPT

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
EP-2677995-B1 COMPOSITION FOR DYEING KERATIN FIBRES COMPRISING A DIRECT DYE BEARING A DISULFIDE/THIOL FUNCTION, A NONIONIC SURFACTANT, AN AMPHOTERIC SURFACTANT, AN ALKALINE AGENT AND A REDUCING AGENT L'ORÉAL (FR) 2017-04-26 — — EP disclosed
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