SCHEMBL17382016

SCHEMBL17382016

CCc1c(C)nn(CC(N)=O)c1C

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
GAA P10253 3/20 0.46
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.39
PTGDR2 Q9Y5Y4 4/20 0.36
HTT P42858 2/20 0.33
APAF1 O14727 1/20 0.33
POLB P06746 1/20 0.33
P2RX7 Q99572 1/20 0.33
NPC1 O15118 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL19007302 0.84 ALDH1A1 (0.65) LMNAGAAALDH1A1PTGDR2APAF1
SCHEMBL4744968 0.79 ALDH1A1 (0.69) LMNAGAAALDH1A1MAPTHTT
SCHEMBL17740400 0.74 ADORA2A (0.42) LMNAGAAALDH1A1MAPTHTT
SCHEMBL19321640 0.74 LMNA (0.45) LMNAGAAALDH1A1MAPTHTT
SCHEMBL2561808 0.74 LMNA (0.45) LMNAGAAALDH1A1MAPTHTT
SCHEMBL31000970 0.71 KDM4E (0.35) LMNAGAAALDH1A1MAPTHTT
SCHEMBL1520529 0.71 POLB (0.63) LMNAALDH1A1HTTPOLBNPC1
SCHEMBL16612479 0.68 MAPK1 (0.47) LMNAGAAALDH1A1MAPTHTT
SCHEMBL24050141 0.67 LMNA (0.40) LMNAGAAALDH1A1
Hydrochloric Acid SCHEMBL11559781 0.67 TSHR (0.38) GAAALDH1A1MAPTHTTAPAF1

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-2015196759-A1 PYRAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF TOCOPHERX, INC. (US) 2015-12-30 WO disclosed