SCHEMBL2035875

SCHEMBL2035875

O=C(O)C1CCC(O)C(c2nccs2)C1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
KDM4C Q9H3R0 1/20 0.39
NPC1 O15118 1/20 0.35
GPR88 Q9GZN0 1/20 0.34
AKR1C3 P42330 1/20 0.34
AKR1C1 Q04828 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
HSD17B10 Q99714 1/20 0.33
HTT P42858 1/20 0.33
CYP2C19 P33261 1/20 0.33
EPHX2 P34913 1/20 0.31
TSHR P16473 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
RBBP9 O75884 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
SCHEMBL7163597 0.79 ALDH1A1 (0.33) KDM4ENPC1MEN1KMT2AHSD17B10
SCHEMBL2035758 0.78 KDM4E (0.45) KDM4EKDM4CGPR88MEN1KMT2A
SCHEMBL2586566 0.76 KDM4C (0.43) KDM4EKDM4CNPC1AKR1C3AKR1C1
SCHEMBL2586558 0.76 KDM4C (0.43) KDM4EKDM4CNPC1AKR1C3AKR1C1
SCHEMBL2037647 0.75 KDM4E (0.47) KDM4EKDM4CAKR1C3AKR1C1MEN1
SCHEMBL2014210 0.75 KDM4E (0.43) KDM4EKDM4CAKR1C3AKR1C1MEN1
SCHEMBL7165129 0.73 ALDH1A1 (0.38) KDM4EMEN1KMT2AHSD17B10HTT
SCHEMBL15141429 0.71 DRD4 (0.35) KDM4EKDM4CHSD17B10ALDH1A1HPGD
SCHEMBL15141428 0.71 DRD4 (0.35) KDM4EKDM4CHSD17B10ALDH1A1HPGD
SCHEMBL15141430 0.71 DRD4 (0.35) KDM4EKDM4CHSD17B10ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2988749-A1 THIAZOLE-SUBSTITUTED AMINOPYRIMIDINES AS SPLEEN TYROSINE KINASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2016-03-02 EP claimed
WO-2014176216-A1 THIAZOLE-SUBSTITUTED AMINOPYRIMIDINES AS SPLEEN TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-10-30 WO claimed
EP-2988749-A1 THIAZOLE-SUBSTITUTED AMINOPYRIMIDINES AS SPLEEN TYROSINE KINASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2016-03-02 EP disclosed
WO-2014176216-A1 THIAZOLE-SUBSTITUTED AMINOPYRIMIDINES AS SPLEEN TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-10-30 WO disclosed
EP-2513098-A1 AMINOPYRIMIDINES AS SYK INHIBITORS Merck Sharp & Dohme Corp. (US) 2012-10-24 EP disclosed
WO-2011075515-A1 AMINOPYRIMIDINES AS SYK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-06-23 WO disclosed
WO-2011075517-A1 AMINOPYRIMIDINES AS SYK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-06-23 WO disclosed