SCHEMBL7974003

SCHEMBL7974003

O=c1[nH]c(-c2ccccn2)nc2ncn(Cc3cccc(F)c3)c12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
KMT2A Q03164 2/20 0.45
HPGD P15428 1/20 0.43
METAP2 P50579 3/20 0.41
METAP1 P53582 3/20 0.41
CBFB Q13951 1/20 0.41
HTT P42858 3/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
LMNA P02545 2/20 0.40
GAA P10253 1/20 0.40
HIF1A Q16665 1/20 0.40
HSP90AA1 P07900 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAPT P10636 2/20 0.39
AGTR1 P30556 1/20 0.39
OPRK1 P41145 1/20 0.39

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
SCHEMBL7974051 0.89 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2KMT2AHPGDMETAP2
SCHEMBL7985490 0.88 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2KMT2AHPGDMETAP2
SCHEMBL7992174 0.88 SMN1; SMN2 (0.48) ALDH1A1SMN1; SMN2KMT2AHPGDMETAP2
SCHEMBL7991785 0.88 HPGD (0.46) ALDH1A1SMN1; SMN2KMT2AHPGDMETAP2
SCHEMBL7985787 0.86 SMN1; SMN2 (0.50) ALDH1A1SMN1; SMN2KMT2AHPGDGAA
SCHEMBL7985453 0.85 GAA (0.52) ALDH1A1SMN1; SMN2KMT2AHPGDHTT
SCHEMBL7991667 0.85 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2KMT2AHPGDMKNK1
SCHEMBL7988452 0.84 SMN1; SMN2 (0.46) ALDH1A1SMN1; SMN2KMT2AHPGDGAA
SCHEMBL7985261 0.84 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2KMT2AHPGDMKNK1
SCHEMBL7988635 0.84 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2KMT2AHPGDMKNK1

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