SCHEMBL5546372

SCHEMBL5546372

CCNc1nc(C(F)(F)F)c(C(=O)O)s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 2/20 0.45
CDK2 P24941 2/20 0.45
MAPT P10636 5/20 0.42
NPC1 O15118 2/20 0.42
CDK5 Q00535 2/20 0.42
MEN1 O00255 1/20 0.42
MAPK1 P28482 1/20 0.42
BRCA1 P38398 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
CDK5R1 Q15078 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.40
CRHR1 P34998 1/20 0.38
SHMT2 P34897 1/20 0.35
ALDH1A1 P00352 3/20 0.35
HPGD P15428 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GLA P06280 1/20 0.35

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
SCHEMBL9750642 0.79 MAPT (0.38) MAPTNPC1MEN1KMT2ASMN1; SMN2
SCHEMBL28144507 0.77 ALDH1A1 (0.49) MAPTMEN1KMT2ACRHR1ALDH1A1
SCHEMBL1928591 0.77 MAPT (0.36) MAPTNPC1MEN1KMT2ACRHR1
SCHEMBL8556409 0.77 NPC1 (0.60) CCNA2CDK2MAPTNPC1CDK5
SCHEMBL9643966 0.76 MAPT (0.38) MAPTMEN1KMT2ASMN1; SMN2CRHR1
SCHEMBL8552123 0.76 CCNA2 (0.48) CCNA2CDK2MAPTNPC1CDK5
SCHEMBL5559263 0.76 MAPT (0.39) MAPTNPC1MEN1MAPK1RAB9A
Hydrochloric Acid SCHEMBL8556705 0.76 NPC1 (0.58) CCNA2CDK2MAPTNPC1CDK5
SCHEMBL3748422 0.74 LCK (0.48)
SCHEMBL975710 0.73 MAPT (0.60) MAPTNPC1MEN1HTTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002000649-A9 SUBSTITUTED QUINAZOLINE DERIVATIVES AND THEIR USE AS INHIBITORS ASTRAZENECA AB (SE) 2007-09-20 WO disclosed
EP-0639574-B1 2-aminothiazolecarboxamide derivatives, processes for their preparation and their use for controlling phytopathogenic organisms LUCKY LTD (KR) 1998-06-10 EP disclosed
US-5514643-A FUNGICIDES FOR PLANTS LUCKY LTD. (KR) 1996-05-07 US disclosed
EP-0639574-A1 2-aminothiazolecarboxamide derivatives, processes for their preparation and their use for controlling phytopathogenic organisms LUCKY LTD. (KR) 1995-02-22 EP disclosed