SCHEMBL7985428

SCHEMBL7985428

O=c1nc(-c2ccccc2)[nH]c2ncn(Cc3ccc(Cl)cc3Cl)c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.41
CYP3A4 P08684 2/20 0.41
MAPK1 P28482 2/20 0.41
HTT P42858 2/20 0.41
TSHR P16473 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
ACP1 P24666 3/20 0.40
PARN O95453 1/20 0.40
CNOT7 Q9UIV1 1/20 0.40
PPARG P37231 1/20 0.39
ALDH1A1 P00352 3/20 0.38
P2RX7 Q99572 3/20 0.38
LMNA P02545 2/20 0.38
KDM4E B2RXH2 2/20 0.38
HPGD P15428 2/20 0.38
GAA P10253 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL7974083 0.89 ACP1 (0.43) SMN1; SMN2CYP1A2CYP2C9CYP2C19ACP1
SCHEMBL7991406 0.85 CNOT7 (0.49) SMN1; SMN2MAPK1HTTACP1PARN
SCHEMBL7988669 0.84 PARN (0.48) SMN1; SMN2MAPK1HTTACP1PARN
SCHEMBL7984461 0.83 CNOT7 (0.52) SMN1; SMN2TSHRACP1PARNCNOT7
SCHEMBL7985419 0.83 ALDH1A1 (0.44) SMN1; SMN2CYP3A4MAPK1HTTTSHR
SCHEMBL7975271 0.83 CNOT7 (0.56) SMN1; SMN2PARNCNOT7ALDH1A1HPGD
SCHEMBL7974015 0.83 PARN (0.49) SMN1; SMN2MAPK1HTTCYP1A2CYP2D6
SCHEMBL7985803 0.82 CXCR2 (0.50) SMN1; SMN2PARNCNOT7ALDH1A1P2RX7
SCHEMBL7974203 0.81 ACP1 (0.41) ACP1PARNCNOT7ALDH1A1P2RX7
SCHEMBL7987224 0.80 LMNA (0.44) PARNCNOT7ALDH1A1P2RX7LMNA

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