SCHEMBL10148819

SCHEMBL10148819

CCc1cc(-c2ccc(-c3nnc4c5ccccc5ccn34)cc2)c2oc3ccc(C)cc3c2c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.34
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 2/20 0.33
KMT2A Q03164 1/20 0.33
HCRTR1 O43613 1/20 0.33
TP53 P04637 1/20 0.33
ALOX15 P16050 1/20 0.33
MAPK1 P28482 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CXCR4 P61073 1/20 0.33
CMKLR1 Q99788 1/20 0.33
THRB P10828 1/20 0.32
PIM1 P11309 1/20 0.32
CSNK2A2 P19784 1/20 0.32
CSNK2B P67870 1/20 0.32
PIM3 Q86V86 1/20 0.32
PIM2 Q9P1W9 1/20 0.32
SIRT2 Q8IXJ6 2/20 0.32
SIRT1 Q96EB6 2/20 0.32

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
SCHEMBL10128074 0.94 MAPT (0.34) MAPTALDH1A1KDM4EKMT2AHCRTR1
SCHEMBL10128065 0.91 MAPT (0.38) MAPTALDH1A1KDM4EKMT2ATP53
SCHEMBL10128073 0.87 RAB9A (0.33) MAPTALDH1A1KDM4EKMT2AHCRTR1
SCHEMBL10128078 0.86 HSD11B1 (0.38) CXCR4CMKLR1SIRT2SIRT1PTPN1
SCHEMBL10128115 0.85 MAPT (0.39) MAPTALDH1A1KDM4EKMT2ATP53
SCHEMBL10128081 0.85 IKBKE (0.31) MAPTALDH1A1KDM4ERAB9ASMN1; SMN2
SCHEMBL10128083 0.81 PIM1 (0.36) MAPTALDH1A1KDM4EKMT2ATP53
SCHEMBL10128099 0.81 PIM1 (0.36) MAPTALDH1A1KDM4EKMT2ATP53
SCHEMBL10149757 0.81 MAPT (0.35) MAPTALDH1A1KDM4EKMT2AHCRTR1
SCHEMBL10128121 0.81 MAPT (0.35) MAPTALDH1A1KDM4EKMT2ATP53

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-2012017842-A1 TRIAZOLE DERIVATIVE, HETEROCYCLIC COMPOUND, LIGHT-EMITTING ELEMENT, LIGHT-EMITTING DEVICE, ELECTRONIC DEVICE AND LIGHTING DEVICE SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-02-09 WO disclosed