SCHEMBL8988097

SCHEMBL8988097

CC(=O)N(c1ccc(OCC(F)(F)F)cc1)c1ccnc(C(C)(C)C)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.36
CYP2C9 P11712 2/20 0.35
CYP17A1 P05093 1/20 0.35
CYP2C19 P33261 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
KMT2A Q03164 1/20 0.34
PAX8 Q06710 1/20 0.34
ALDH1A1 P00352 1/20 0.34
RXRA P19793 2/20 0.33
NR1H2 P55055 2/20 0.33
NR1H3 Q13133 2/20 0.33
BUB1 O43683 1/20 0.33
MAPK14 Q16539 3/20 0.33
CYP1A2 P05177 1/20 0.33
DGAT1 O75907 1/20 0.32
CNR2 P34972 1/20 0.32

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
SCHEMBL8987719 0.86 SMN1; SMN2 (0.39) KDM4CCYP2C9CYP17A1CYP2C19SMN1; SMN2
SCHEMBL8987860 0.85 SCN9A (0.38) KDM4CMEN1LMNAKMT2ARXRA
SCHEMBL8987645 0.84 KDM4C (0.38) KDM4CCYP2C9CYP17A1CYP2C19SMN1; SMN2
SCHEMBL8987967 0.84 KDM4C (0.36) KDM4CCYP2C9CYP17A1CYP2C19SMN1; SMN2
SCHEMBL8987783 0.83 CYP17A1 (0.37) KDM4CCYP2C9CYP17A1CYP2C19SMN1; SMN2
SCHEMBL8987617 0.83 MAPK14 (0.40) BUB1MAPK14
SCHEMBL8987991 0.82 KDM4C (0.37) KDM4CCYP2C9CYP17A1CYP2C19SMN1; SMN2
SCHEMBL8988049 0.82 KDM4C (0.37) KDM4CCYP2C9CYP17A1CYP2C19SMN1; SMN2
SCHEMBL8987794 0.81 CACNA1G (0.37) KDM4CCYP2C19SMN1; SMN2NPC1RAB9A
SCHEMBL8987915 0.81 BUB1 (0.41) KDM4CCYP2C19SMN1; SMN2NPC1RAB9A

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-5556859-A N-(4-pyrimidinyl)amide pesticides DOWELANCO (US) 1996-09-17 US disclosed