SCHEMBL8445226

SCHEMBL8445226

CC(=O)NCCSNc1ccc(N)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 7/20 0.45
MTNR1B P49286 7/20 0.45
TSHR P16473 3/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 2/20 0.43
MAPT P10636 1/20 0.43
RAB9A P51151 1/20 0.43
CNR1 P21554 1/20 0.43
PKM P14618 2/20 0.41
CYP2C19 P33261 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.39
GLA P06280 1/20 0.39
TDP1 Q9NUW8 2/20 0.37
DHFR P00374 1/20 0.37
KDM4E B2RXH2 1/20 0.37
F13A1 P00488 1/20 0.37
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 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
SCHEMBL8447838 0.85 CNR1 (0.51) MTNR1AMTNR1BTSHRKMT2AALDH1A1
SCHEMBL9212481 0.77 MTNR1A (0.70) MTNR1AMTNR1BTSHRKMT2AALDH1A1
SCHEMBL10826205 0.76 MTNR1A (0.50) MTNR1AMTNR1BTSHRKMT2AALDH1A1
SCHEMBL27890220 0.73 KDM4E (0.44) MTNR1AMTNR1BTSHRKMT2AALDH1A1
SCHEMBL8948248 0.73 MAPT (0.43) TSHRKMT2AALDH1A1MAPTRAB9A
SCHEMBL11409406 0.73 MAPT (0.39) TSHRKMT2AALDH1A1MAPTRAB9A
Sulfuric Acid SCHEMBL11083725 0.71 PKM (0.47) MTNR1AMTNR1BTSHRKMT2AALDH1A1
SCHEMBL33559 0.71 MTNR1A (0.45) MTNR1AMTNR1BTSHRKMT2AALDH1A1
SCHEMBL2715966 0.70 KDM4E (0.70) ALDH1A1MAPTSMN1; SMN2KDM4EF13A1
SCHEMBL27559698 0.70 MAPT (0.38) TSHRALDH1A1MAPTRAB9ACYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0656202-B1 Dyeing composition containing sulphurous p-phenylene-diamines, sulphurous p-phenylenediamines and method of preparation OREAL (FR) 1999-05-06 EP claimed
US-5542952-A DEVELOPERS THAT FORM STABLE OXIDATION HAIR DYES L'OREAL (FR) 1996-08-06 US claimed
EP-0656202-A1 Dyeing composition containing sulphurous p-phenylene-diamines, novel sulphurous p-phenylenediamines and method of preparation L'OREAL (FR) 1995-06-07 EP claimed
JP-7196935-A None JP disclosed
EP-0656202-B1 Dyeing composition containing sulphurous p-phenylene-diamines, sulphurous p-phenylenediamines and method of preparation OREAL (FR) 1999-05-06 EP disclosed
US-5542952-A DEVELOPERS THAT FORM STABLE OXIDATION HAIR DYES L'OREAL (FR) 1996-08-06 US disclosed
JP-H07196935-A DYE COMPOSITION CONTAINING SULFUR-CONTAINING PARA-PHENYLENEDIAMINE L'OREAL SA 1995-08-01 JP disclosed
EP-0656202-A1 Dyeing composition containing sulphurous p-phenylene-diamines, novel sulphurous p-phenylenediamines and method of preparation L'OREAL (FR) 1995-06-07 EP disclosed