SCHEMBL4784322

SCHEMBL4784322

Cc1ccc(-c2nnc3ccc(N4CCCC(CO)C4)nn23)cc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.53
PIM1 P11309 2/20 0.52
KDM4E B2RXH2 3/20 0.48
ALDH1A1 P00352 3/20 0.48
APAF1 O14727 1/20 0.48
HPGD P15428 3/20 0.47
GAA P10253 1/20 0.47
DPP4 P27487 7/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
HTT P42858 1/20 0.44
POLB P06746 2/20 0.41
MAPT P10636 2/20 0.41
PTGER4 P35408 2/20 0.41
DPP8 Q6V1X1 1/20 0.41
DPP7 Q9UHL4 1/20 0.41
ALOX15 P16050 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
SCHEMBL4783215 0.80 PIM1 (0.78) HSD17B10PIM1KDM4EALDH1A1APAF1
SCHEMBL32665192 0.79 HSD17B10 (0.49) HSD17B10PIM1KDM4EALDH1A1APAF1
SCHEMBL32665398 0.74 ALDH1A1 (0.48) HSD17B10PIM1KDM4EALDH1A1APAF1
SCHEMBL32665097 0.74 TP53 (0.49) HSD17B10PIM1KDM4EALDH1A1APAF1
SCHEMBL15034199 0.74 PDE10A (0.56) HTTPOLBPTGER4
SCHEMBL11751799 0.73 PIM1 (0.79) HSD17B10PIM1KDM4EALDH1A1APAF1
SCHEMBL32665000 0.72 ALDH1A1 (0.50) HSD17B10PIM1KDM4EALDH1A1APAF1
SCHEMBL32665534 0.72 HSD17B10 (0.46) HSD17B10PIM1KDM4EALDH1A1APAF1
SCHEMBL32664943 0.72 ALDH1A1 (0.53) HSD17B10PIM1KDM4EALDH1A1APAF1
SCHEMBL32665367 0.72 ALDH1A1 (0.52) HSD17B10PIM1KDM4EALDH1A1APAF1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008069500-A1 TRIAZOLOPYRIDAZINE DERIVATIVES HAVING INHIBITORY ACTIVITY AGAINST ACETYL-COA CARBOXYLASE AMOREPACIFIC CORPORATION (KR) 2008-06-12 WO claimed
WO-2008069500-A1 TRIAZOLOPYRIDAZINE DERIVATIVES HAVING INHIBITORY ACTIVITY AGAINST ACETYL-COA CARBOXYLASE AMOREPACIFIC CORPORATION (KR) 2008-06-12 WO disclosed