SCHEMBL10754767

SCHEMBL10754767

CC(CN1C(=O)c2ccccc2C1=O)c1c[nH]c2ccc(C#N)cc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 4/20 0.42
▸ MGAM O43451 2/20 0.42
▸ SI P14410 2/20 0.42
▸ MGAM2 Q2M2H8 2/20 0.42
▸ MEN1 O00255 4/20 0.41
▸ MAPT P10636 4/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ LMNA P02545 3/20 0.41
▸ HTT P42858 1/20 0.41
▸ GUSB P08236 2/20 0.41
▸ DRD2 P14416 1/20 0.40
▸ DRD4 P21917 1/20 0.40
▸ DRD3 P35462 1/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ SLC6A4 P31645 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ NR3C1 P04150 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
SCHEMBL10752980 0.83 CCKBR (0.46) GAAMEN1MAPTKMT2ALMNA
SCHEMBL10754099 0.81 HTR2A (0.44) GAAMEN1MAPTKMT2ALMNA
SCHEMBL18235618 0.77 KMT2A (0.40) GAAMEN1MAPTKMT2ALMNA
SCHEMBL9828298 0.76 GAA (0.69) GAAMEN1MAPTKMT2ALMNA
SCHEMBL10756653 0.76 HTR1D (0.39) GAAMEN1MAPTKMT2ALMNA
SCHEMBL10746246 0.74 MAPT (0.70) GAAMEN1MAPTKMT2ALMNA
SCHEMBL18222538 0.74 HTR1A (0.41) GAAMEN1MAPTKMT2ALMNA
SCHEMBL5239895 0.73 HTR2A (0.48) GAAMGAMSIMGAM2MEN1
SCHEMBL20078269 0.73 GUSB (0.50) GAAMGAMSIMGAM2GUSB
SCHEMBL14017318 0.73 MAPT (0.65) GAAMEN1MAPTKMT2ALMNA

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
US-4636521-A ANALGESICS GLAXO GROUP LIMITED (GB) 1987-01-13 — — US disclosed
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