SCHEMBL7486572

SCHEMBL7486572

Cc1ccc(C(=O)C(=O)c2ccccc2-c2cccs2)cc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 8/20 0.41
HCRTR2 O43614 8/20 0.41
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
TNFRSF1A P19438 1/20 0.40
CES2 O00748 2/20 0.39
CES1 P23141 2/20 0.39
AR P10275 1/20 0.39
MEN1 O00255 2/20 0.37
RAB9A P51151 2/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
HPGD P15428 1/20 0.37
PPARG P37231 1/20 0.37
NCOA2 Q15596 1/20 0.37
NCOA1 Q15788 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
BAZ2B Q9UIF8 1/20 0.37

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
SCHEMBL7089421 0.82 PTGER2 (0.41) HDAC1HDAC6TNFRSF1AMEN1KMT2A
SCHEMBL27905635 0.78 CES2 (0.47) HCRTR1HCRTR2CES2CES1KMT2A
SCHEMBL7085296 0.72 PTGER2 (0.40) TNFRSF1AMEN1RAB9AKMT2AKDM4E
SCHEMBL27204316 0.70 BAZ2B (0.53) HCRTR1HCRTR2ARKDM4EHPGD
SCHEMBL932848 0.68 ALOX15 (0.53) MEN1RAB9AKMT2AKDM4ENPC1
SCHEMBL15630555 0.68 SRPK1 (0.50) TNFRSF1AARMEN1RAB9AKMT2A
SCHEMBL12302152 0.68 HDAC1 (0.61) HDAC1HDAC6CES2CES1RAB9A
SCHEMBL6092124 0.68 RAB9A (0.42) HCRTR1HCRTR2RAB9AKDM4ENPC1
SCHEMBL6732189 0.68 HPGDS (0.53) HCRTR1HCRTR2MEN1KMT2AKDM4E
SCHEMBL3559657 0.67 ALDH1A1 (0.54) HCRTR1HCRTR2ARMEN1RAB9A

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
EP-1211244-A2 4,5-substitued imidazolyl compounds for the treatment of inflammation G.D. Searle & Co. (US) 2002-06-05 EP disclosed