SCHEMBL7050677

SCHEMBL7050677

CC(C)Cc1cc(NCc2cccc(C#N)c2)n(C)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 4/20 0.41
MAPT P10636 2/20 0.40
ALDH1A1 P00352 2/20 0.40
GLA P06280 1/20 0.40
PDE2A O00408 1/20 0.39
GLS O94925 1/20 0.38
CYP1A2 P05177 3/20 0.38
CYP3A4 P08684 3/20 0.38
CYP2D6 P10635 3/20 0.38
CYP2C19 P33261 3/20 0.38
TSHR P16473 2/20 0.38
HSD17B10 Q99714 2/20 0.38
KDM4E B2RXH2 2/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
LRRK2 Q5S007 1/20 0.38
USP2 O75604 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
CYP2C9 P11712 1/20 0.38

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
SCHEMBL7053974 0.73 MEP1A (0.39) MAPTALDH1A1GLAGRIA2GRIN1
SCHEMBL2660512 0.72 GLA (0.58) MAPTALDH1A1GLASCN8A
SCHEMBL7053242 0.71 SLC6A2 (0.36) VNN1MAPTALDH1A1GLA
SCHEMBL6960353 0.69 ALDH1A1 (0.41) VNN1MAPTALDH1A1GLAPDE2A
SCHEMBL411143 0.68 GLA (0.54) VNN1GLASCN8A
SCHEMBL320058 0.67 LOXL2 (0.59) VNN1MAPTGLACYP3A4KDM4E
SCHEMBL30471916 0.67 LOXL2 (0.59) VNN1MAPTGLACYP3A4KDM4E
SCHEMBL7053828 0.67 NTRK1 (0.45) VNN1MAPTALDH1A1CYP1A2CYP3A4
SCHEMBL6955432 0.67 MAPT (0.46) VNN1MAPTALDH1A1GLAPDE2A
SCHEMBL21316490 0.66 GLA (0.55) MAPTALDH1A1GLASCN8A

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-1304325-A1 5-(M-CYANOBENZYLAMINO)PYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-04-23 EP disclosed