SCHEMBL7974646

SCHEMBL7974646

Oc1nc(-c2ccccc2F)nc2ncn(Cc3ccccc3)c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.47
SMN1; SMN2 Q16637 4/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 1/20 0.40
GAA P10253 2/20 0.39
KMT2A Q03164 2/20 0.39
MET P08581 1/20 0.39
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
CXCR2 P25025 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
DPP4 P27487 1/20 0.37
PARN O95453 1/20 0.37
CNOT7 Q9UIV1 1/20 0.37
TNF P01375 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
PKM P14618 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
SCHEMBL7988184 0.93 MET (0.42) MAPK14SMN1; SMN2ALDH1A1HPGDKMT2A
SCHEMBL7974060 0.91 SMN1; SMN2 (0.41) MAPK14SMN1; SMN2ALDH1A1HPGDGAA
SCHEMBL7984878 0.90 MAPK14 (0.42) MAPK14SMN1; SMN2GAAMETMAPT
SCHEMBL7988454 0.90 MAPK14 (0.41) MAPK14GAAMETCYP11B1CYP11B2
SCHEMBL7974276 0.88 HTT (0.39) MAPK14ALDH1A1POLBMAPTMAPK1
SCHEMBL7974309 0.88 CYP11B1 (0.45) MAPK14SMN1; SMN2ALDH1A1HPGDGAA
SCHEMBL7984199 0.88 NR1H4 (0.44) MAPK14SMN1; SMN2ALDH1A1HPGDGAA
SCHEMBL7973917 0.88 LMNA (0.40) MAPK14ALDH1A1METHDAC1HDAC6
SCHEMBL7985538 0.88 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1HPGDGAAKMT2A
SCHEMBL7974853 0.86 DPP4 (0.48) SMN1; SMN2ALDH1A1HPGDGAAKMT2A

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