SCHEMBL7985362

SCHEMBL7985362

O=c1nc(-c2cccc(Cl)c2)[nH]c2ncn(Cc3cccc(F)c3)c12

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 4/20 0.45
GRIN2B Q13224 4/20 0.45
POLB P06746 1/20 0.43
THRB P10828 1/20 0.43
YTHDC1 Q96MU7 1/20 0.42
GLA P06280 1/20 0.42
HTT P42858 1/20 0.42
UBE2N P61088 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ACP1 P24666 2/20 0.42
MAPK1 P28482 2/20 0.41
PARN O95453 1/20 0.40
CNOT7 Q9UIV1 1/20 0.40
CXCR2 P25025 1/20 0.40
P2RX7 Q99572 4/20 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
SCHEMBL7987312 0.96 GRIN1 (0.48) GRIN1GRIN2BPOLBTHRBYTHDC1
SCHEMBL7991676 0.93 ACP1 (0.43) GRIN1GRIN2BACP1PARNCNOT7
SCHEMBL7973628 0.93 SMN1; SMN2 (0.48) YTHDC1GLAHTTUBE2NSMN1; SMN2
SCHEMBL7988784 0.92 MAPK1 (0.43) GRIN1GRIN2BYTHDC1GLAHTT
SCHEMBL7974015 0.91 PARN (0.49) GLAHTTUBE2NSMN1; SMN2L3MBTL1
SCHEMBL7985794 0.90 PARN (0.46) GRIN1GRIN2BSMN1; SMN2PARNCNOT7
SCHEMBL7987255 0.90 PARN (0.48) GRIN1GRIN2BSMN1; SMN2ACP1MAPK1
SCHEMBL7985302 0.89 ROCK2 (0.41) GRIN1GRIN2BACP1PARNCNOT7
SCHEMBL7988820 0.89 MAPK1 (0.48) GRIN1GRIN2BYTHDC1GLAHTT
SCHEMBL7991638 0.88 GRIN1 (0.42) GRIN1GRIN2BACP1PARNCNOT7

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
US-6310070-B1 FOR TREATING NEPHRITIS, IMPROVING PROTEINURIA DUE TO GLOMERULONEPHRITIS AND PREVENTING AGGRAVATION OF NEPHRITIS JAPAN ENERGY CORPORATION (JP) 2001-10-30 US disclosed
EP-0999211-A1 NOVEL PURINE DERIVATIVES AND MEDICINAL USE THEREOF JAPAN ENERGY CORPORATION (JP) 2000-05-10 EP disclosed