SCHEMBL6972135

SCHEMBL6972135

Cc1nn(-c2ccccc2)c(C)c1NCc1cccc(C#N)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
VNN1 O95497 2/20 0.46
KLK6 Q92876 1/20 0.44
PLK1 P53350 1/20 0.43
ALDH1A1 P00352 4/20 0.43
LMNA P02545 2/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NTRK1 P04629 1/20 0.42
NTRK3 Q16288 1/20 0.42
NTRK2 Q16620 1/20 0.42
PDE2A O00408 1/20 0.42
ACP1 P24666 1/20 0.41
CYP1A2 P05177 2/20 0.41
MAPK1 P28482 2/20 0.41
CYP2C19 P33261 2/20 0.41
HSD17B10 Q99714 2/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41

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
SCHEMBL6959349 0.80 VNN1 (0.47) VNN1ALDH1A1NTRK1NTRK3NTRK2
SCHEMBL20037230 0.78 KLK6 (0.76) KLK6
SCHEMBL6969995 0.78 ACP1 (0.45) MEN1KMT2AVNN1ALDH1A1LMNA
SCHEMBL6960209 0.74 PLK1 (0.48) MEN1KMT2APLK1ALDH1A1LMNA
SCHEMBL6959537 0.74 VNN1 (0.48) MEN1KMT2AVNN1ALDH1A1LMNA
SCHEMBL6960930 0.73 VNN1 (0.47) MEN1KMT2AVNN1ALDH1A1LMNA
SCHEMBL6970481 0.73 MEN1 (0.39) MEN1KMT2AVNN1PLK1ALDH1A1
SCHEMBL6966662 0.73 NPSR1 (0.44) MEN1KMT2AALDH1A1LMNAHSD17B10
SCHEMBL6959326 0.72 VNN1 (0.51) VNN1ALDH1A1LMNANTRK1NTRK3
SCHEMBL8559433 0.71 LRRK2 (0.46) MEN1KMT2AALDH1A1LMNAHTT

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