SCHEMBL7985684

SCHEMBL7985684

Oc1nc(Cc2cccnc2)nc2ncn(Cc3ccccc3)c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHPS P49366 2/20 0.42
CNOT7 Q9UIV1 1/20 0.42
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4C Q9H3R0 1/20 0.39
HPGD P15428 1/20 0.39
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP2E1 P05181 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2A6 P11509 1/20 0.38
CYP2B6 P20813 1/20 0.38
KMT2A Q03164 1/20 0.38
CLK1 P49759 1/20 0.37
DYRK1A Q13627 1/20 0.37
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL7985861 0.84 CNOT7 (0.44) DHPSCNOT7POLBSMN1; SMN2ALDH1A1
SCHEMBL7974286 0.81 DHPS (0.49) DHPSCNOT7POLBSMN1; SMN2ALDH1A1
SCHEMBL7985471 0.81 HPGD (0.43) CNOT7POLBSMN1; SMN2ALDH1A1HPGD
SCHEMBL7975252 0.80 HPGD (0.45) CNOT7POLBSMN1; SMN2ALDH1A1HPGD
SCHEMBL7988099 0.80 SMN1; SMN2 (0.45) CNOT7SMN1; SMN2ALDH1A1HPGDCYP11B1
SCHEMBL7984365 0.80 HPGD (0.45) CNOT7SMN1; SMN2ALDH1A1HPGDCYP11B1
SCHEMBL7974515 0.80 GAA (0.48) SMN1; SMN2ALDH1A1HPGDCYP11B1CYP11B2
SCHEMBL7989407 0.79 HPGD (0.44) CNOT7POLBSMN1; SMN2ALDH1A1HPGD
Hydrochloric Acid SCHEMBL7987467 0.79 SMN1; SMN2 (0.44) CNOT7SMN1; SMN2ALDH1A1HPGDCYP11B1
Hydrochloric Acid SCHEMBL7992066 0.79 HPGD (0.44) CNOT7SMN1; SMN2ALDH1A1HPGDCYP11B1

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