SCHEMBL12379943

SCHEMBL12379943

CC(=O)Cn1nc(C(F)(F)F)c2c1CCCC2

nearest known ligand 0.76

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.76
TSHR P16473 3/20 0.74
NPSR1 Q6W5P4 1/20 0.74
GAA P10253 1/20 0.74
TDP1 Q9NUW8 1/20 0.63
MAPT P10636 6/20 0.62
POLQ O75417 1/20 0.61
ALDH1A1 P00352 1/20 0.60
HTT P42858 1/20 0.60
TP53 P04637 2/20 0.59
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2C19 P33261 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.58
POLB P06746 1/20 0.58

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
SCHEMBL1008435 0.87 LMNA (1.00) LMNATSHRNPSR1GAATDP1
SCHEMBL20371480 0.85 LMNA (1.00) LMNATSHRNPSR1GAATDP1
SCHEMBL15708803 0.85 LMNA (1.00) LMNATSHRNPSR1GAATDP1
SCHEMBL12361570 0.85 LMNA (0.71) LMNATSHRNPSR1GAATDP1
SCHEMBL1006167 0.84 LMNA (0.94) LMNATSHRNPSR1GAATDP1
SCHEMBL14487346 0.82 LMNA (0.67) LMNATSHRNPSR1GAATDP1
SCHEMBL3451759 0.82 LMNA (0.67) LMNATSHRNPSR1GAATDP1
SCHEMBL13521109 0.80 GRIA2 (0.71) LMNATSHRNPSR1GAAMAPT
SCHEMBL14555832 0.80 LMNA (0.64) LMNATSHRNPSR1GAATDP1
SCHEMBL14555306 0.80 LMNA (0.63) LMNATSHRNPSR1GAATDP1

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-7998978-B2 Substituted 2-amino-fused heterocyclic compounds PFIZER INC. (US) 2011-08-16 US disclosed