SCHEMBL27638427

SCHEMBL27638427

NC1([N+](=O)[O-])C=CC=C(c2ccccc2)C1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
NPC1 O15118 1/20 0.30
RAB9A P51151 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
SCHEMBL10645095 0.81 ALDH1A1 (0.33) ALDH1A1TDP1NPC1RAB9A
SCHEMBL28315380 0.78 ALDH1A1 (0.32) ALDH1A1TDP1NPC1RAB9A
SCHEMBL5671293 0.76 NPC1 (0.37) ALDH1A1NPC1RAB9A
SCHEMBL28749627 0.75 NPC1 (0.31) ALDH1A1NPC1RAB9A
Methane SCHEMBL28000918 0.74 NPC1 (0.36) ALDH1A1NPC1RAB9A
SCHEMBL29170920 0.73 NPC1 (0.42) ALDH1A1TDP1NPC1RAB9A
SCHEMBL629189 0.73
SCHEMBL27689212 0.73
SCHEMBL5067245 0.71 HDAC1 (0.35) ALDH1A1NPC1RAB9A
SCHEMBL29234913 0.71 NPC1 (0.31) ALDH1A1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1997340-B Disulfide dyes, compositions containing them and dyeing methods CIBA SPEC CHEM CORP 2013-07-17 CN disclosed
CN-1997340-A Disulfide dyes, compositions containing them and dyeing methods CIBA SC HOLDING AG (CH) 2007-07-11 CN disclosed
CN-1882307-A Method for dyeing fibres containing keratine HENKEL KGAA (DE) 2006-12-20 CN disclosed
CN-1761517-A Mixing device HENKEL KGAA (DE) 2006-04-19 CN disclosed