SCHEMBL6955432

SCHEMBL6955432

Cc1c(NCc2cccc(C#N)c2)cnn1CC(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.46
ALDH1A1 P00352 2/20 0.46
VNN1 O95497 4/20 0.42
PDE9A O76083 3/20 0.42
MET P08581 2/20 0.42
KCNH2 Q12809 1/20 0.42
CYP1A2 P05177 3/20 0.41
CYP3A4 P08684 3/20 0.41
CYP2D6 P10635 3/20 0.41
CYP2C19 P33261 3/20 0.41
KDM4E B2RXH2 2/20 0.41
ACP1 P24666 1/20 0.40
BRD4 O60885 1/20 0.40
BRD9 Q9H8M2 1/20 0.40
TSHR P16473 2/20 0.40
HSD17B10 Q99714 2/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40
USP2 O75604 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL6971588 0.86 PDE9A (0.47) MAPTALDH1A1VNN1PDE9AMET
SCHEMBL6962751 0.81 HTR2C (0.43) VNN1METKCNH2CYP1A2CYP3A4
SCHEMBL6965452 0.80 SOS1 (0.41) MAPTALDH1A1VNN1PDE9AJAK2
SCHEMBL6959349 0.78 VNN1 (0.47) ALDH1A1VNN1METKCNH2CYP1A2
SCHEMBL6955428 0.78 ALDH1A1 (0.47) MAPTALDH1A1METBRD4TSHR
SCHEMBL6960353 0.77 ALDH1A1 (0.41) MAPTALDH1A1VNN1METKCNH2
SCHEMBL6969069 0.77 ALDH1A1 (0.41) MAPTALDH1A1
SCHEMBL6967041 0.74 ALDH1A1 (0.45) MAPTALDH1A1PDE9AMETGLA
SCHEMBL6967044 0.73 MAPT (0.45) MAPTALDH1A1PDE9ATSHRGLA
SCHEMBL6964408 0.72 ALDH1A1 (0.43) MAPTALDH1A1VNN1GLAJAK2

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