SCHEMBL1003175

SCHEMBL1003175

O=C(Nc1cccnc1)c1conc1C1CC1.O=C(O)c1conc1C1CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SORT1 Q99523 1/20 0.50
HSD17B10 Q99714 3/20 0.47
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
HPGD P15428 1/20 0.47
KMT2A Q03164 1/20 0.47
NAMPT P43490 6/20 0.47
HTT P42858 2/20 0.46
CYP11B2 P19099 2/20 0.46
MAPK1 P28482 2/20 0.46
CYP11B1 P15538 1/20 0.45
LMNA P02545 3/20 0.45
HIF1A Q16665 1/20 0.45
GSK3A P49840 1/20 0.45
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
GAA P10253 1/20 0.43
POLB P06746 1/20 0.43
PKM P14618 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
SCHEMBL1003875 0.95 ALDH1A1 (0.51) SORT1HSD17B10ALDH1A1KDM4EMEN1
SCHEMBL18132518 0.73 ALDH1A1 (0.72) SORT1HSD17B10ALDH1A1KDM4EMEN1
SCHEMBL6707975 0.72 MEN1 (0.51) ALDH1A1KDM4EMEN1KMT2AHIF1A
SCHEMBL30281241 0.71 ACMSD (0.40) KDM4EKMT2AHTTHIF1A
SCHEMBL20587999 0.71 ACMSD (0.37) KDM4EKMT2AHTTHIF1APOLB
SCHEMBL19064374 0.70 HSD17B10 (0.64) HSD17B10ALDH1A1KDM4EMEN1HPGD
SCHEMBL20172440 0.68 MEN1 (0.53) HSD17B10ALDH1A1KDM4EMEN1HPGD
SCHEMBL20172442 0.68 NAMPT (0.51) SORT1ALDH1A1KDM4EMEN1HPGD
SCHEMBL15920569 0.67 SORT1 (1.00) SORT1MEN1KMT2ANAMPTCYP11B2
SCHEMBL3642636 0.66 NAMPT (0.81) NAMPTCYP11B2CYP11B1LMNAHIF1A

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
EP-2456308-A2 PYRIDINE DERIVATIVES FOR CONTROLLING INVERTREBATE PESTS BASF SE (DE) 2012-05-30 EP disclosed
WO-2011009804-A2 PYRIDINE DERIVATIVES COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS BASF SE (DE) 2011-01-27 WO disclosed