SCHEMBL14398302

SCHEMBL14398302

C(=C/c1ccccn1)\c1cc2c3c(c1)CCCN3CCC2

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 5/20 0.46
▸ NPC1 O15118 4/20 0.46
▸ KMT2A Q03164 4/20 0.46
▸ MEN1 O00255 3/20 0.46
▸ ATM Q13315 1/20 0.46
▸ PTGS1 P23219 1/20 0.46
▸ PTGS2 P35354 1/20 0.46
▸ MAPT P10636 4/20 0.41
▸ NLRP3 Q96P20 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ RAD52 P43351 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ MIF P14174 2/20 0.37
▸ HTR2C P28335 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ IP6K1 Q92551 1/20 0.36

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
SCHEMBL13989159 0.81 KMT2A (0.53) KMT2AMEN1ATMPTGS2MAPT
SCHEMBL13989158 0.80 KMT2A (0.49) KMT2AMEN1PTGS2MAPTALDH1A1
SCHEMBL16070432 0.79 CHKA (0.43) RAB9ANPC1KMT2AMAPTNLRP3
SCHEMBL16070435 0.78 PTGS1 (0.40) RAB9ANPC1KMT2AMEN1ATM
SCHEMBL12432783 0.76 MAPT (0.65) RAB9ANPC1KMT2AMEN1ATM
SCHEMBL15624281 0.75 RAB9A (0.38) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL14077330 0.74 KMT2A (0.44) KMT2AMEN1PTGS1PTGS2MAPT
Iodomethane SCHEMBL710788 0.72 MAPT (0.60) RAB9ANPC1KMT2AMEN1ATM
Iodomethane SCHEMBL4424533 0.72 MAPT (0.60) RAB9ANPC1KMT2AMEN1ATM
SCHEMBL15882807 0.72 KMT2A (0.45) KMT2AMEN1ATMPTGS2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2677996-B1 COMPOSITION FOR DYEING KERATINOUS FIBRES COMPRISING A DIRECT DYE HAVING A DISULPHIDE/THIOL FUNCTIONAL GROUP, A THICKENING POLYMER, AN ETHOXYLATED FATTY ALCOHOL AND/OR A NONIONIC SURFACTANT, AN ALKALINE AGENT AND A REDUCING AGENT L'ORÉAL (FR) 2017-11-29 — — EP disclosed
EP-2018847-B1 Hair composition comprising at least one direct disulfide dye and at least one alkali hydroxide agent and method of simultaneous styling and dyeing. ORÉAL L (FR) 2014-09-17 — — EP disclosed
WO-2007110542-A2 METHOD OF DYEING AND LIGHTENING KERATIN MATERIALS IN THE PRESENCE OF A REDUCING AGENT COMPRISING A FLUORESCENT DISULPHIDE DYE L'OREAL (FR) 2007-10-04 — — WO disclosed
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