SCHEMBL6972133

SCHEMBL6972133

Cc1nn(-c2ccccc2)c(C)c1C(N)c1cccc(C#N)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.46
PLK1 P53350 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 3/20 0.41
NPSR1 Q6W5P4 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 2/20 0.39
HTT P42858 1/20 0.38
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
AR P10275 1/20 0.37
NOTUM Q6P988 1/20 0.37
CYP1A2 P05177 1/20 0.37
MAPK1 P28482 1/20 0.37
CYP2C19 P33261 1/20 0.37
POLB P06746 1/20 0.36

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
SCHEMBL6960209 0.77 PLK1 (0.48) MAPTPLK1SMN1; SMN2LMNANPSR1
SCHEMBL4239653 0.74 AR (0.54) MAPTSMN1; SMN2LMNANPSR1TDP1
SCHEMBL22927645 0.73 TSHR (0.48) MAPTALDH1A1TSHR
SCHEMBL29434770 0.73 TSHR (0.48) MAPTALDH1A1TSHR
SCHEMBL23558108 0.71 SMN1; SMN2 (0.59) MAPTPLK1SMN1; SMN2LMNAALDH1A1
SCHEMBL6964975 0.71 PLK1 (0.42) MAPTPLK1LMNANPSR1TDP1
SCHEMBL6964973 0.71 PLK1 (0.40) PLK1LMNANPSR1TDP1ALDH1A1
Hydrochloric Acid SCHEMBL29908241 0.71 TSHR (0.46) MAPTALDH1A1TSHR
SCHEMBL4296254 0.69 AR (0.42) MAPTSMN1; SMN2LMNANPSR1TDP1
SCHEMBL6972135 0.69 MEN1 (0.47) MAPTPLK1SMN1; SMN2LMNAALDH1A1

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
EP-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 EP disclosed