SCHEMBL8445169

SCHEMBL8445169

CC(=O)NCCSc1cc(N)ccc1N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 6/20 0.50
MTNR1B P49286 6/20 0.50
GSTP1 P09211 1/20 0.42
GSTM2 P28161 1/20 0.42
TSHR P16473 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 4/20 0.41
MAPT P10636 3/20 0.36
KDM4E B2RXH2 2/20 0.36
BLM P54132 2/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
PTGS1 P23219 1/20 0.36
HIF1A Q16665 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35

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
SCHEMBL8921661 0.88 MTNR1A (0.54) MTNR1AMTNR1BGSTP1GSTM2TSHR
Hydrochloric Acid SCHEMBL8919928 0.87 MTNR1A (0.52) MTNR1AMTNR1BGSTP1GSTM2TSHR
SCHEMBL8948371 0.84 MTNR1A (0.47) MTNR1AMTNR1BGSTP1GSTM2TSHR
SCHEMBL8780978 0.84 MTNR1A (0.49) MTNR1AMTNR1BGSTP1GSTM2TSHR
SCHEMBL8919768 0.81 MTNR1A (0.50) MTNR1AMTNR1BGSTP1GSTM2TSHR
SCHEMBL8534889 0.78 MTNR1A (0.60) MTNR1AMTNR1BSMN1; SMN2RAB9A
SCHEMBL9212481 0.78 MTNR1A (0.70) MTNR1AMTNR1BTSHRKMT2AALDH1A1
Water SCHEMBL8536059 0.77 MTNR1A (0.59) MTNR1AMTNR1BSMN1; SMN2RAB9A
Hydrochloric Acid SCHEMBL9009890 0.77 MTNR1A (0.59) MTNR1AMTNR1BSMN1; SMN2RAB9A
SCHEMBL8921659 0.75 MTNR1A (0.50) MTNR1AMTNR1BGSTP1GSTM2TSHR

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