SCHEMBL8176992

SCHEMBL8176992

Cc1csc(C(=O)C(C)(C)Br)c1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DAO P14920 2/20 0.59
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
CASP3 P42574 2/20 0.36
SENP7 Q9BQF6 2/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
GSK3B P49841 3/20 0.36
HDAC6 Q9UBN7 1/20 0.35
KDR P35968 3/20 0.34
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TP53 P04637 1/20 0.33
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
RAF1 P04049 1/20 0.32
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31

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
SCHEMBL13246741 0.86 DAO (0.61) DAOCES2CES1CASP3SENP7
SCHEMBL8111560 0.84 DAO (0.59) DAOCES2CES1CASP3SENP7
SCHEMBL7253264 0.80 DAO (0.59) DAOCASP3SENP7SENP8SENP6
SCHEMBL58565 0.79 DAO (0.53) DAOCES2CES1CASP3SENP7
SCHEMBL7514103 0.78 DAO (0.52) DAOCASP3SENP7SENP8SENP6
SCHEMBL7514096 0.78 DAO (0.52) DAOCASP3SENP7SENP8SENP6
SCHEMBL7368425 0.76 DAO (0.71) DAOCES2CES1CASP3SENP7
SCHEMBL5859674 0.76 DAO (0.71) DAOCES2CES1CASP3SENP7
SCHEMBL10384202 0.75 DAO (0.49) DAOCASP3SENP7SENP8SENP6
SCHEMBL10385894 0.75 DAO (0.49) DAOCASP3SENP7SENP8SENP6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6022906-A α-aminoacetophenone photoinitiators CIBA SPECIALTY CHEMICALS CORPORATION (US) 2000-02-08 US disclosed