SCHEMBL8414992

SCHEMBL8414992

NC(=O)c1ccc(C(=O)NCCS)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 5/20 0.50
HDAC10 Q969S8 5/20 0.50
HDAC6 Q9UBN7 5/20 0.50
HDAC8 Q9BY41 4/20 0.50
HDAC3 O15379 3/20 0.50
HDAC4 P56524 3/20 0.50
HDAC7 Q8WUI4 3/20 0.50
HDAC2 Q92769 3/20 0.50
HDAC11 Q96DB2 3/20 0.50
HDAC9 Q9UKV0 3/20 0.50
HDAC5 Q9UQL6 3/20 0.50
EPHX2 P34913 1/20 0.49
NR1H4 Q96RI1 1/20 0.49
CYP1A2 P05177 1/20 0.49
TSHR P16473 1/20 0.49
NFKB1 P19838 1/20 0.49
MAOB P27338 1/20 0.49
KMT2A Q03164 3/20 0.47
MEN1 O00255 1/20 0.47
BLM P54132 1/20 0.47

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
SCHEMBL12308200 0.90 HDAC1 (0.58) HDAC1HDAC10HDAC6HDAC8HDAC3
SCHEMBL15168443 0.88 LMNA (0.55) HDAC1HDAC10HDAC6HDAC8HDAC3
SCHEMBL21081411 0.85 HDAC6 (0.42) HDAC1HDAC10HDAC6HDAC8HDAC3
SCHEMBL17784165 0.85 HDAC6 (0.42) HDAC1HDAC10HDAC6HDAC8HDAC3
SCHEMBL12308254 0.84 HDAC3 (0.53) HDAC1HDAC10HDAC6HDAC8HDAC3
SCHEMBL3001574 0.82 CA12 (0.58) HDAC6HDAC4EPHX2NR1H4CYP1A2
SCHEMBL8414393 0.82 POLB (0.56) HDAC1HDAC10HDAC6HDAC8HDAC3
SCHEMBL6332819 0.82 SMN1; SMN2 (0.54) HDAC1HDAC10HDAC6HDAC8HDAC3
SCHEMBL2977016 0.81 KDM4E (0.65) EPHX2NR1H4CYP1A2TSHRNFKB1
SCHEMBL2478462 0.81 CA1 (0.50) HDAC1HDAC10HDAC6HDAC8HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5985257-A HAIR PERMANENT L'OREAL (FR) 1999-11-16 US claimed
US-5935558-A FOR PERMANENT WAVING OF HAIR; IMPROVED CURLING, LOW ODOR L'OREAL, SA (FR) 1999-08-10 US claimed
EP-0653202-B1 Cosmetic composition containing an N-mercaptoalkyl alkanediamide or one of its cosmetically acceptable salts as a reducing agent OREAL (FR) 1998-03-04 EP claimed
EP-0653202-A1 Cosmetic composition containing an N-mercaptoalkyl alkanediamide or one of its cosmetically acceptable salts as a reducing agent L'OREAL (FR) 1995-05-17 EP claimed
US-5985257-A HAIR PERMANENT L'OREAL (FR) 1999-11-16 US disclosed
US-5935558-A FOR PERMANENT WAVING OF HAIR; IMPROVED CURLING, LOW ODOR L'OREAL, SA (FR) 1999-08-10 US disclosed
US-5843416-A Cosmetic composition containing an n-mercaptoalkylalkanediamide or one of its cosmetically acceptable salts as reducing agent L'OREAL (FR) 1998-12-01 US disclosed
EP-0653202-B1 Cosmetic composition containing an N-mercaptoalkyl alkanediamide or one of its cosmetically acceptable salts as a reducing agent OREAL (FR) 1998-03-04 EP disclosed
US-5700454-A FOR PERMANENT WAVING OF HAIR WITH IMPROVED CURLING EFFICIENCY L'OREAL (FR) 1997-12-23 US disclosed
EP-0653202-A1 Cosmetic composition containing an N-mercaptoalkyl alkanediamide or one of its cosmetically acceptable salts as a reducing agent L'OREAL (FR) 1995-05-17 EP disclosed