SCHEMBL8837186

SCHEMBL8837186

O=[N+]([O-])c1cc(OCc2ccccc2)ccc1CS

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.51
▸ KMT2A Q03164 3/20 0.51
▸ NPC1 O15118 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ ATM Q13315 1/20 0.51
▸ MAOB P27338 2/20 0.48
▸ AR P10275 1/20 0.48
▸ TDO2 P48775 1/20 0.48
▸ BACE1 P56817 1/20 0.47
▸ CTSV O60911 2/20 0.47
▸ CTSL P07711 2/20 0.47
▸ TLR4 O00206 1/20 0.47
▸ TLR2 O60603 1/20 0.47
▸ MAOA P21397 1/20 0.47
▸ ALOX5 P09917 1/20 0.46
▸ PTGES O14684 1/20 0.46
▸ MAPT P10636 2/20 0.46
▸ PIN1 Q13526 2/20 0.44

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
SCHEMBL26604899 0.86 MEN1 (0.51) MEN1KMT2ANPC1RAB9AATM
SCHEMBL27544439 0.86 MEN1 (0.51) MEN1KMT2ANPC1RAB9AATM
SCHEMBL27189538 0.85 MEN1 (0.50) MEN1KMT2ANPC1RAB9AATM
SCHEMBL5732900 0.85 MEN1 (0.50) MEN1KMT2ANPC1RAB9AATM
SCHEMBL5734037 0.85 CYP4F2 (0.55) MEN1KMT2ANPC1RAB9AATM
SCHEMBL30954335 0.85 CYP4F2 (0.55) MEN1KMT2ANPC1RAB9AATM
SCHEMBL5734529 0.85 MEN1 (0.50) MEN1KMT2ANPC1RAB9AATM
SCHEMBL30832846 0.84 MEN1 (0.57) MEN1KMT2ANPC1RAB9AATM
SCHEMBL1663438 0.84 MEN1 (0.57) MEN1KMT2ANPC1RAB9AATM
SCHEMBL5734032 0.84 CYP1A2 (0.56) MEN1KMT2ANPC1RAB9AATM

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
US-5616809-A COUPLER, USED TO DYE KERATINOUS FIBERS L'OREAL (FR) 1997-04-01 — — US disclosed
EP-0591060-B1 4-Substituted meta amino phenols, process for their preparation their use in dyeing keratinic fibres and intermediates used in their preparation OREAL (FR) 1996-12-18 — — EP disclosed
US-5451236-A Hair dyes L'OREAL (FR) 1995-09-19 — — US disclosed
EP-0591060-A1 4-Substituted meta amino phenols, process for their preparation their use in dyeing keratinic fibres and intermediates used in their preparation L'OREAL (FR) 1994-04-06 — — EP disclosed
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