SCHEMBL8389573

SCHEMBL8389573

Cc1cc(N2CCCCC2)n2nc(-c3c(F)cc(F)cc3F)nc2n1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.47
▸ MAPT P10636 5/20 0.45
▸ LMNA P02545 2/20 0.44
▸ HSD17B10 Q99714 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ CRHR1 P34998 1/20 0.41
▸ TP53 P04637 2/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ CRHBP P24387 1/20 0.40
▸ CRHR2 Q13324 1/20 0.40
▸ USP2 O75604 1/20 0.40
▸ ABCB1 P08183 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
SCHEMBL8385651 0.82 MAPT (0.48) GAAMAPTLMNAHSD17B10KMT2A
SCHEMBL8389800 0.81 MAPT (0.55) GAAMAPTLMNAHSD17B10KMT2A
SCHEMBL7712326 0.78 GAA (0.70) GAAMAPTLMNAHSD17B10KMT2A
SCHEMBL7710351 0.77 MAPT (0.67) GAAMAPTLMNAHSD17B10KMT2A
SCHEMBL15902304 0.74 HPGD (0.36) GAAMAPTLMNAHSD17B10MAPK1
SCHEMBL7710453 0.72 MAPT (0.53) GAAMAPTLMNAHSD17B10KMT2A
SCHEMBL7706413 0.72 GAA (0.52) GAAMAPTLMNAHSD17B10KMT2A
SCHEMBL20539021 0.72 KMT2A (0.53) GAAMAPTLMNAHSD17B10KMT2A
SCHEMBL976753 0.66 ALDH1A1 (0.44) MAPTLMNAHSD17B10KMT2AMEN1
SCHEMBL7984951 0.64 SMN1; SMN2 (0.33) SMN1; SMN2NPC1RAB9ATP53

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5994360-A Fungicidal 5-alkyl-triazolopyrimidines AMERICAN CYANAMID COMPANY (US) 1999-11-30 — — US disclosed
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