SCHEMBL28008607

SCHEMBL28008607

CCOC(=O)C(C)c1ccc(-n2c(CC)nc3c(C)c(NS(C)(=O)=O)cnc32)cc1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TRPV1 Q8NER1 8/20 0.35
HPGD P15428 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
RECQL P46063 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.33
POLB P06746 1/20 0.33
PABPC1 P11940 1/20 0.33

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
SCHEMBL1625037 0.80 PTGER4 (0.38) MEN1KMT2APOLBPABPC1
SCHEMBL7017841 0.79 ALDH1A1 (0.41) HPGDMEN1KMT2AALDH1A1POLB
SCHEMBL1625038 0.78 PTGER4 (0.36) MEN1KMT2A
SCHEMBL1625198 0.78 PTGER4 (0.36) MEN1KMT2A
SCHEMBL28008635 0.74 MEN1 (0.44) TSHRMEN1KMT2AMAPK1POLB
SCHEMBL7015251 0.74 HSD17B10 (0.37) KDM4ETSHRHSD17B10HPGDMEN1
SCHEMBL27597640 0.74 GLO1 (0.36) KDM4ETSHR
SCHEMBL6385097 0.74 POLB (0.36) KDM4ETSHRHPGDMEN1KMT2A
SCHEMBL7016110 0.73
SCHEMBL7018959 0.73 MEN1 (0.43) KDM4EMEN1KMT2AALDH1A1MAPK1

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
CN-101967146-B Aryl or heteroaryl fused imidazole compounds as anti-inflammatory and analgesic agents RAQUALIA PHARMA INC 2015-04-08 CN disclosed