SCHEMBL2585047

SCHEMBL2585047

O=S(=O)(Cc1cccc(F)c1)Cc1ccccn1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.53
GRM4 Q14833 1/20 0.46
KMT2A Q03164 3/20 0.44
CXCR3 P49682 1/20 0.42
KCNA5 P22460 1/20 0.42
NFE2L2 Q16236 1/20 0.42
ALDH1A1 P00352 3/20 0.41
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
RAB9A P51151 2/20 0.41
HPGD P15428 1/20 0.41
GRIN1 Q05586 2/20 0.40
GRIN2B Q13224 2/20 0.40
MEN1 O00255 2/20 0.39
HSD17B10 Q99714 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL2592540 0.83 KCNA5 (0.55) KDM4EKMT2AKCNA5NFE2L2MAPT
SCHEMBL2593202 0.82 SMN1; SMN2 (0.51) KMT2AALDH1A1MAPTSMN1; SMN2HPGD
SCHEMBL775777 0.82 TAAR1 (0.50) KMT2AALDH1A1SMN1; SMN2MEN1L3MBTL1
SCHEMBL9600152 0.80 KMT2A (0.50) KMT2AALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL4212164 0.78 KDM4E (0.61) KDM4EKMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL1272066 0.74 L3MBTL1 (0.45) KDM4EKMT2AKCNA5ALDH1A1MAPT
SCHEMBL776330 0.74 TAAR1 (0.46) KMT2AALDH1A1MAPTMEN1HSD17B10
Formic Acid SCHEMBL28118279 0.73 KDM4E (0.57) KDM4EKMT2ANFE2L2ALDH1A1MAPT
SCHEMBL2589313 0.73 KDM4E (0.56) KDM4EKMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL7400760 0.73 KDM4E (0.56) KDM4EKMT2AALDH1A1MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011138266-A1 INDOLIZINE AND IMIDAZOPYRIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS EVOTEC AG (DE) 2011-11-10 WO disclosed
WO-2011138266-A1 INDOLIZINE AND IMIDAZOPYRIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS EVOTEC AG (DE) 2011-11-10 WO disclosed