SCHEMBL7712326

SCHEMBL7712326

Cc1cc(N2CCCCC2)n2nc(C)nc2n1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.70
▸ LMNA P02545 4/20 0.62
▸ L3MBTL1 Q9Y468 4/20 0.59
▸ TP53 P04637 2/20 0.59
▸ USP2 O75604 1/20 0.58
▸ HSD17B10 Q99714 6/20 0.55
▸ KMT2A Q03164 4/20 0.55
▸ HTT P42858 4/20 0.50
▸ MAPK1 P28482 3/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ MAPT P10636 6/20 0.47
▸ KDM4E B2RXH2 3/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ HPGD P15428 2/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ CASP1 P29466 1/20 0.47
▸ CASP3 P42574 1/20 0.47
▸ CASP7 P55210 1/20 0.47

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
SCHEMBL7706413 0.83 GAA (0.52) GAALMNAL3MBTL1TP53USP2
SCHEMBL20539021 0.80 KMT2A (0.53) GAALMNAL3MBTL1TP53USP2
SCHEMBL7710351 0.80 MAPT (0.67) GAALMNAL3MBTL1TP53USP2
SCHEMBL8389573 0.78 GAA (0.47) GAALMNAL3MBTL1TP53USP2
SCHEMBL8389800 0.76 MAPT (0.55) GAALMNAL3MBTL1TP53USP2
SCHEMBL7710453 0.75 MAPT (0.53) GAALMNAL3MBTL1TP53USP2
SCHEMBL8385651 0.73 MAPT (0.48) GAALMNAL3MBTL1TP53USP2
SCHEMBL18269478 0.71 RAD52 (0.53) GAALMNAL3MBTL1TP53HSD17B10
SCHEMBL13325681 0.70 RECQL (0.68) LMNATP53HSD17B10KMT2AHTT
SCHEMBL11962837 0.70 HSD17B10 (0.64) GAALMNAL3MBTL1TP53HSD17B10

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-6369065-B1 CEREBROVASCULAR AND CARDIOVASCULAR DISORDERS UCB S.A. (BE) 2002-04-09 — — US claimed
US-6369065-B1 CEREBROVASCULAR AND CARDIOVASCULAR DISORDERS UCB S.A. (BE) 2002-04-09 — — US disclosed
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