SCHEMBL4782912

SCHEMBL4782912

CC1CC(C)CN(c2ccc3nnc(-c4ccc(Cl)cc4)n3n2)C1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.55
ALDH1A1 P00352 5/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
HSD17B10 Q99714 6/20 0.50
KDM4E B2RXH2 6/20 0.49
MAPT P10636 4/20 0.49
KMT2A Q03164 3/20 0.49
HTT P42858 3/20 0.49
TSHR P16473 3/20 0.49
MEN1 O00255 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
PIM1 P11309 2/20 0.49
TP53 P04637 2/20 0.48
POLB P06746 1/20 0.43
ALOX15 P16050 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
APAF1 O14727 1/20 0.43

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
SCHEMBL32665179 0.79 HPGD (0.54) HPGDALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL14422698 0.79 PIM1 (0.76) HPGDALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL4739564 0.77 PIM1 (0.77) HPGDALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL32665352 0.73 MAPT (0.57) HPGDALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL32665000 0.72 ALDH1A1 (0.50) HPGDALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL32665455 0.72 MAPT (0.49) HPGDALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL32664934 0.72 ALDH1A1 (0.56) HPGDALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL4783215 0.69 PIM1 (0.78) HPGDALDH1A1HSD17B10KDM4EKMT2A
SCHEMBL32665005 0.69 ALDH1A1 (0.49) HPGDALDH1A1HSD17B10KDM4EMAPT
SCHEMBL26132381 0.68 CNR2 (0.40) HPGDKDM4EMAPTKMT2AHTT

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