SCHEMBL17120703

SCHEMBL17120703

N#Cc1cnccc1-c1ccc(NCCN2CCCCCC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 2/20 0.46
▸ ALDH1A1 P00352 4/20 0.42
▸ KDM4E B2RXH2 3/20 0.42
▸ HPGD P15428 3/20 0.42
▸ HSD17B10 Q99714 3/20 0.42
▸ GAA P10253 2/20 0.42
▸ POLB P06746 1/20 0.42
▸ GFER P55789 1/20 0.42
▸ ALOX12 P18054 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ BACE1 P56817 1/20 0.41
▸ CDK1 P06493 1/20 0.39
▸ KDR P35968 1/20 0.39
▸ CHEK1 O14757 1/20 0.39
▸ CHRNA7 P36544 2/20 0.39
▸ CHRM1 P11229 1/20 0.38
▸ HTR2A P28223 1/20 0.38
▸ MAPT P10636 2/20 0.38
▸ NEK1 Q96PY6 1/20 0.38
▸ GLA P06280 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
SCHEMBL17120701 0.89 PRKCQ (0.42) MCHR1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL17120730 0.89 LMNA (0.50) ALDH1A1KDM4EHPGDHSD17B10CHEK1
SCHEMBL17120729 0.83 BACE1 (0.52) MCHR1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL2975455 0.79 FLT1 (0.57) KDR
SCHEMBL18221487 0.79 ALDH1A1 (0.49) ALDH1A1KDM4EHPGDHSD17B10CHEK1
SCHEMBL19294027 0.79 CHEK1 (0.46) ALDH1A1KDM4EHPGDHSD17B10GAA
SCHEMBL19293993 0.79 CHEK1 (0.47) ALDH1A1KDM4EHPGDHSD17B10GAA
SCHEMBL19294021 0.78 CHEK1 (0.45) ALDH1A1KDM4EHPGDHSD17B10CDK1
SCHEMBL2984893 0.78 HRH3 (0.62) —
SCHEMBL2981464 0.78 LTA4H (0.55) MCHR1KDRCHRM1HTR2ACYP2D6

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-2015143185-A1 AMYLOID TARGETING AGENTS AND METHODS OF USING THE SAME AMYDIS DIAGNOSTICS (US) 2015-09-24 — — WO disclosed
Send feedback