SCHEMBL8385651

SCHEMBL8385651

Cc1cc(N2CCCCC2)n2nc(-c3c(F)cccc3Cl)nc2n1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.48
▸ CRHR1 P34998 1/20 0.46
▸ HSD17B10 Q99714 4/20 0.44
▸ KMT2A Q03164 4/20 0.44
▸ LMNA P02545 2/20 0.44
▸ GAA P10253 2/20 0.44
▸ HTT P42858 2/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ USP2 O75604 1/20 0.40
▸ ABCB1 P08183 1/20 0.40

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
SCHEMBL8389800 0.82 MAPT (0.55) MAPTHSD17B10KMT2ALMNAGAA
SCHEMBL8389573 0.82 GAA (0.47) MAPTCRHR1HSD17B10KMT2ALMNA
SCHEMBL7710351 0.77 MAPT (0.67) MAPTHSD17B10KMT2ALMNAGAA
SCHEMBL7712326 0.73 GAA (0.70) MAPTCRHR1HSD17B10KMT2ALMNA
SCHEMBL8385648 0.69 TSHR (0.43) MAPTHSD17B10KMT2ALMNAHTT
SCHEMBL7710453 0.68 MAPT (0.53) MAPTHSD17B10KMT2ALMNAGAA
SCHEMBL20539021 0.67 KMT2A (0.53) MAPTHSD17B10KMT2ALMNAGAA
SCHEMBL7706413 0.67 GAA (0.52) MAPTCRHR1HSD17B10KMT2ALMNA
SCHEMBL5309493 0.67 KMT2A (0.40) KMT2ASMN1; SMN2KDM4ENPC1HPGD
SCHEMBL5249318 0.67 KMT2A (0.40) KMT2ASMN1; SMN2KDM4ENPC1HPGD

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
Send feedback