SCHEMBL7985803

SCHEMBL7985803

O=c1nc(-c2ccc(Cl)cc2Cl)[nH]c2ncn(Cc3ccccc3)c12

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 7/20 0.50
PARN O95453 1/20 0.48
CNOT7 Q9UIV1 1/20 0.48
GUSB P08236 1/20 0.47
P2RX7 Q99572 2/20 0.45
GSK3B P49841 1/20 0.41
CHRM4 P08173 1/20 0.41
DPP4 P27487 1/20 0.41
PNP P00491 1/20 0.41
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GAA P10253 1/20 0.40
HPGD P15428 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
SCHEMBL7974857 0.89 CNOT7 (0.52) CXCR2PARNCNOT7GUSBP2RX7
SCHEMBL7984461 0.84 CNOT7 (0.52) CXCR2PARNCNOT7GUSBPNP
SCHEMBL7974015 0.83 PARN (0.49) CXCR2PARNCNOT7PNPALDH1A1
SCHEMBL7985798 0.83 GUSB (0.53) CXCR2PARNCNOT7GUSBP2RX7
SCHEMBL7988669 0.83 PARN (0.48) CXCR2PARNCNOT7P2RX7PNP
SCHEMBL7991406 0.82 CNOT7 (0.49) CXCR2PARNCNOT7GUSBPNP
SCHEMBL7985428 0.82 SMN1; SMN2 (0.41) PARNCNOT7P2RX7ALDH1A1SMN1; SMN2
SCHEMBL7975271 0.81 CNOT7 (0.56) CXCR2PARNCNOT7PNPALDH1A1
SCHEMBL7984880 0.81 P2RX7 (0.46) CXCR2PARNCNOT7P2RX7SMN1; SMN2
SCHEMBL7985543 0.81 CNOT7 (0.54) PARNCNOT7GUSBPNPALDH1A1

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