SCHEMBL11287139

SCHEMBL11287139

O=C(Cc1nc(=O)[nH]cc1Cl)c1c[nH]c2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.52
MEN1 O00255 6/20 0.52
MAPT P10636 5/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C19 P33261 1/20 0.52
ADAM17 P78536 1/20 0.49
CTNNB1 P35222 2/20 0.48
WNT3A P56704 2/20 0.48
GPR84 Q9NQS5 1/20 0.47
POLB P06746 3/20 0.46
GABRP O00591 2/20 0.46
GABRD O14764 2/20 0.46
GABRA1 P14867 2/20 0.46
GABRB1 P18505 2/20 0.46
GABRG2 P18507 2/20 0.46
GABRB3 P28472 2/20 0.46
GABRA5 P31644 2/20 0.46
GABRA3 P34903 2/20 0.46
GABRA2 P47869 2/20 0.46

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
SCHEMBL11269374 0.79 RAB9A (0.48) KMT2AMEN1MAPTCYP1A2CYP3A4
SCHEMBL31651414 0.76 KMT2A (0.65) KMT2AMEN1MAPTCYP1A2CYP3A4
SCHEMBL10924639 0.73 RAB9A (0.50) KMT2AMEN1MAPTPOLBLMNA
SCHEMBL3717752 0.73 ADAM17 (0.68) KMT2AMAPTADAM17CTNNB1WNT3A
SCHEMBL15902100 0.72 ADAM17 (0.67) KMT2AMAPTADAM17CTNNB1WNT3A
SCHEMBL11269287 0.72 NPC1 (0.45) KMT2AMEN1MAPTPOLBSMN1; SMN2
SCHEMBL11293448 0.72 GSK3B (0.45) KMT2AMEN1MAPTCYP1A2CYP3A4
SCHEMBL11271153 0.71 RAB9A (0.47) KMT2AMEN1MAPTCYP1A2CYP3A4
SCHEMBL11271605 0.71 RAB9A (0.40) KMT2AMEN1MAPTCTNNB1WNT3A
SCHEMBL4056357 0.70 ADAM17 (0.68) KMT2AMEN1MAPTADAM17CTNNB1

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-0044705-A1 Substituted pyrimidin-2-ones, the salts thereof, processes for their preparation, pharmaceutical compositions containing them and a method therefor GLAXO GROUP LIMITED (GB) 1982-01-27 EP disclosed