SCHEMBL21608930

SCHEMBL21608930

C=C/C=C(/C)c1ccc(Cl)cc1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.40
GABRG2 P18507 4/20 0.40
GABRB3 P28472 4/20 0.40
GABRB2 P47870 3/20 0.40
GABRB1 P18505 2/20 0.40
FLT1 P17948 1/20 0.39
FLT4 P35916 1/20 0.39
KDR P35968 1/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP11B2 P19099 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP3A4 P08684 1/20 0.34
PTGS1 P23219 1/20 0.34
NOX1 Q9Y5S8 1/20 0.34
POLB P06746 1/20 0.34
HPGD P15428 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL19176369 0.79
SCHEMBL16982953 0.77 FLT1 (0.35) GABRA1GABRG2GABRB3GABRB2GABRB1
SCHEMBL13017260 0.76 HTT (0.45) MEN1KMT2ANPC1RAB9ACYP3A4
SCHEMBL14944914 0.75 GABRA1 (0.40) GABRA1GABRG2GABRB3GABRB2GABRB1
SCHEMBL16078374 0.75 FLT1 (0.44) GABRA1GABRG2GABRB3GABRB2GABRB1
SCHEMBL18495016 0.75 GABRA1 (0.37) GABRA1GABRG2GABRB3GABRB2GABRB1
SCHEMBL17327862 0.73 KMT2A (0.41) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL18516692 0.73 MAOA (0.38) MEN1KMT2ASMN1; SMN2HPGDALDH1A1
SCHEMBL4574528 0.71 FLT1 (0.51) FLT1FLT4KDRMEN1KMT2A
SCHEMBL30628195 0.71 FLT1 (0.51) FLT1FLT4KDRMEN1KMT2A

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
WO-2019243303-A1 PYRIDINYL AND PYRAZINYL-(AZA)INDOLSULFONAMIDES UCB PHARMA GMBH (DE) 2019-12-26 WO disclosed