SCHEMBL7985801

SCHEMBL7985801

Oc1nc(-c2ccc(Cl)cc2Cl)nc2ncn(Cc3ccccc3)c12

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 2/20 0.41
DPP4 P27487 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
ALDH1A1 P00352 3/20 0.40
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
HPGD P15428 2/20 0.39
GAA P10253 2/20 0.39
MARS1 P56192 1/20 0.39
KMT2A Q03164 1/20 0.37
CNR1 P21554 1/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
CRHBP P24387 1/20 0.36
RAB9A P51151 1/20 0.36
CRHR2 Q13324 1/20 0.36
P2RX7 Q99572 1/20 0.36

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
SCHEMBL7974853 0.88 DPP4 (0.48) CXCR2DPP4SMN1; SMN2ALDH1A1HPGD
SCHEMBL7984459 0.83 NR1H2 (0.43) SMN1; SMN2ALDH1A1HPGDGAAKMT2A
SCHEMBL7974012 0.83 ALDH1A1 (0.41) CXCR2SMN1; SMN2ALDH1A1HPGDGAA
SCHEMBL7985538 0.82 SMN1; SMN2 (0.43) DPP4SMN1; SMN2ALDH1A1HPGDGAA
SCHEMBL7988668 0.82 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1GAA
SCHEMBL7991405 0.81 CYP11B1 (0.45) SMN1; SMN2ALDH1A1HPGDKMT2A
SCHEMBL7985425 0.81 ACP1 (0.42) SMN1; SMN2KMT2ACRHBPCRHR2P2RX7
SCHEMBL7984878 0.81 MAPK14 (0.42) SMN1; SMN2GAAP2RX7
SCHEMBL7975267 0.80 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1HPGDGAAKMT2A
SCHEMBL7974646 0.80 MAPK14 (0.47) CXCR2DPP4SMN1; SMN2ALDH1A1HPGD

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