SCHEMBL7989501

SCHEMBL7989501

CNCc1nc(O)c2c(ncn2Cc2cccc(F)c2)n1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 5/20 0.38
EPHX2 P34913 2/20 0.38
PPARG P37231 2/20 0.38
DBH P09172 1/20 0.37
MAPT P10636 3/20 0.36
TAAR1 Q96RJ0 1/20 0.36
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B13 Q7Z5P4 1/20 0.36
YTHDC1 Q96MU7 1/20 0.36
LMNA P02545 1/20 0.36
BRD4 O60885 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2B Q13224 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
DPP4 P27487 1/20 0.36
THRB P10828 1/20 0.35

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
SCHEMBL7988356 0.88 ALDH1A1 (0.44) MAPTALDH1A1SMN1; SMN2LMNACYP11B1
SCHEMBL7984208 0.88 MAPT (0.39) EPHX2PPARGDBHMAPTALDH1A1
SCHEMBL7987673 0.87 YTHDC1 (0.47) DBHTAAR1SMN1; SMN2YTHDC1LMNA
SCHEMBL7988484 0.87 PDE1A (0.43) CDK9EPHX2PPARGDBHMAPT
SCHEMBL7985513 0.86 MET (0.43) ALDH1A1SMN1; SMN2CYP11B1CYP11B2
SCHEMBL7984365 0.86 HPGD (0.45) ALDH1A1SMN1; SMN2YTHDC1CYP11B1CYP11B2
Hydrochloric Acid SCHEMBL7987804 0.86 YTHDC1 (0.46) DBHTAAR1SMN1; SMN2YTHDC1LMNA
Hydrochloric Acid SCHEMBL7988731 0.85 MET (0.42) ALDH1A1SMN1; SMN2CYP11B1CYP11B2
Hydrochloric Acid SCHEMBL7992066 0.85 HPGD (0.44) MAPTALDH1A1SMN1; SMN2YTHDC1CYP11B1
SCHEMBL7986363 0.85 GAA (0.48) MAPTALDH1A1SMN1; SMN2YTHDC1LMNA

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