SCHEMBL8700664

SCHEMBL8700664

CCOC(=O)c1cc(N)c2nc(C(F)(F)F)n(CC(C)C)c2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.38
KDM4E B2RXH2 4/20 0.37
GRM5 P41594 1/20 0.36
CYP1A2 P05177 3/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 1/20 0.36
ALDH1A1 P00352 4/20 0.35
HPGD P15428 3/20 0.35
HSD17B10 Q99714 2/20 0.35
IDO1 P14902 1/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
CYP3A4 P08684 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 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
SCHEMBL4634178 0.72 CA12 (0.43) LMNAKDM4ECYP1A2ALDH1A1HPGD
SCHEMBL8700660 0.67 ACSS2 (0.48) LMNAKDM4EALDH1A1HPGDKMT2A
SCHEMBL8697702 0.67 ALDH1A1 (0.37) LMNAKDM4ECYP1A2CYP2C9CYP2C19
SCHEMBL23195611 0.66 CA12 (0.44) LMNAKDM4ECYP1A2CYP2C9CYP2C19
SCHEMBL10895643 0.64 CA12 (0.60) LMNACYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL23196121 0.64 CA12 (0.45) LMNAKDM4ECYP1A2CYP2C9CYP2C19
SCHEMBL11231488 0.64 CA12 (0.47) LMNAKDM4ECYP1A2CYP2C9CYP2C19
SCHEMBL1264358 0.64 LMNA (0.54) LMNAKDM4ECYP1A2ALDH1A1HPGD
SCHEMBL5924185 0.63 CA12 (0.55) LMNACYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL7075007 0.63 ADORA3 (0.43) LMNAKDM4ECYP1A2ALDH1A1HPGD

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
WO-1998018768-A1 HERBICIDAL 3-(BICYCLIC NITROGEN-CONTAINING HETEROCYCLE)-SUBSTITUTED-1-METHYL-6-TRIFLUOROMETHYLURACILS FMC CORPORATION (US) 1998-05-07 WO disclosed