SCHEMBL2592540

SCHEMBL2592540

O=S(=O)(Cc1ccc(F)cc1)Cc1ccccn1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 1/20 0.55
RAB9A P51151 1/20 0.49
MAPT P10636 2/20 0.48
KDM4E B2RXH2 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CYP3A4 P08684 1/20 0.45
PKM P14618 1/20 0.41
NFE2L2 Q16236 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL2593202 0.86 SMN1; SMN2 (0.51) MAPTSMN1; SMN2CYP3A4KMT2A
SCHEMBL9600152 0.84 KMT2A (0.50) MAPTSMN1; SMN2PKMKMT2A
SCHEMBL2585047 0.83 KDM4E (0.53) KCNA5RAB9AMAPTKDM4ESMN1; SMN2
SCHEMBL4635552 0.79 KDM4E (0.56) KCNA5RAB9AMAPTKDM4ESMN1; SMN2
SCHEMBL422010 0.78 USP2 (0.51) MAPTKMT2A
SCHEMBL1272066 0.78 L3MBTL1 (0.45) KCNA5RAB9AMAPTKDM4ESMN1; SMN2
SCHEMBL3233668 0.75 L3MBTL1 (0.65) KCNA5RAB9AMAPTKDM4ESMN1; SMN2
SCHEMBL8361647 0.75 LMNA (0.49) RAB9ASMN1; SMN2KMT2A
SCHEMBL8867729 0.74 CYP1A2 (0.56) KCNA5RAB9AMAPTKDM4ESMN1; SMN2
SCHEMBL28641442 0.74 HRH1 (0.52) MAPTSMN1; SMN2KMT2A

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