SCHEMBL9846474

SCHEMBL9846474

Clc1ncc(SCc2ccccc2)cn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.50
MAOA P21397 2/20 0.44
MAOB P27338 2/20 0.44
SCN9A Q15858 1/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
HTT P42858 3/20 0.43
POLB P06746 2/20 0.43
ABL1 P00519 1/20 0.42
RIN1 Q13671 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
ALOX12 P18054 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL7947358 0.81 HSD17B10 (0.47) HSD17B10MAOAMAOBSCN9ANPC1
SCHEMBL6482247 0.79 L3MBTL1 (0.49) HSD17B10MAOAMAOBSCN9ANPC1
SCHEMBL29497647 0.78 RAB9A (0.48) SCN9ANPC1RAB9ASMN1; SMN2POLB
SCHEMBL23195821 0.77 POLB (0.46) HSD17B10SCN9ANPC1RAB9ASMN1; SMN2
SCHEMBL21773120 0.76 HSD17B10 (0.42) HSD17B10MAOAMAOBSCN9ANPC1
SCHEMBL38664086 0.76 RAB9A (0.45) HSD17B10MAOAMAOBSCN9ANPC1
SCHEMBL31468117 0.76 SCN9A (0.51) HSD17B10MAOAMAOBSCN9ANPC1
SCHEMBL16011599 0.74 L3MBTL1 (0.50) HSD17B10NPC1RAB9ASMN1; SMN2HTT
SCHEMBL20609867 0.74 HSD17B10 (0.47) HSD17B10NPC1RAB9ASMN1; SMN2HTT
SCHEMBL2887792 0.74 SCN9A (0.52) HSD17B10MAOAMAOBSCN9ARAB9A

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-0457581-A1 Herbicidal sulfonylurea derivatives ICI AUSTRALIA OPERATIONS PROPRIETARY LIMITED (AU) 1991-11-21 EP disclosed