SCHEMBL4604609

SCHEMBL4604609

CCC[Mg]Br.CCCc1ccc(N)nc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
TP53 P04637 2/20 0.40
PKM P14618 2/20 0.40
HSD17B10 Q99714 1/20 0.40
GABRP O00591 1/20 0.40
GABRD O14764 1/20 0.40
GABRA1 P14867 1/20 0.40
GABRB1 P18505 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 1/20 0.40
GABRA2 P47869 1/20 0.40
GABRB2 P47870 1/20 0.40
GABRA4 P48169 1/20 0.40
GABRE P78334 1/20 0.40
GABRA6 Q16445 1/20 0.40
GABRG1 Q8N1C3 1/20 0.40

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
SCHEMBL294092 0.86 GABRP (0.50) NPC1RAB9ASMN1; SMN2TP53PKM
SCHEMBL4154226 0.75 NFKB1 (0.54) NPC1RAB9ASMN1; SMN2TP53PKM
SCHEMBL10723761 0.74 RAB9A (0.54) NPC1RAB9ASMN1; SMN2TP53PKM
SCHEMBL2823763 0.73 RAB9A (0.57) NPC1RAB9ASMN1; SMN2TP53PKM
SCHEMBL28026315 0.71 GABRP (0.50) SMN1; SMN2HSD17B10GABRPGABRDGABRA1
SCHEMBL312816 0.70
SCHEMBL30279718 0.70
SCHEMBL25168556 0.70 LPL (0.45) L3MBTL1THRBKDM4EALDH1A1
SCHEMBL25054208 0.69 GABRP (0.52) SMN1; SMN2TP53HSD17B10GABRPGABRD
SCHEMBL19001246 0.69 NOS1 (0.41) RAB9ASMN1; SMN2PKMHSD17B10GABRP

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
EP-1943241-A1 PYRAZOLES USEFUL IN THE TREATMENT OF INFLAMMATION Biolipox AB (SE) 2008-07-16 EP disclosed
WO-2007051981-A1 PYRAZOLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2007-05-10 WO disclosed