SCHEMBL6178909

SCHEMBL6178909

COc1nc(Nc2ccc(C)cc2N)nc(OC)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
POLB P06746 2/20 0.45
TP53 P04637 2/20 0.45
MITF O75030 1/20 0.45
BLM P54132 1/20 0.45
ALDH1A1 P00352 2/20 0.43
CYP3A4 P08684 2/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
HTT P42858 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
LMNA P02545 3/20 0.40
SLC6A4 P31645 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL6180534 0.88 MEN1 (0.48) MAPTMEN1KMT2APOLBTP53
SCHEMBL6179386 0.84 GAA (0.49) MAPTMEN1KMT2ABLMALDH1A1
SCHEMBL6178784 0.83 GAA (0.48) MAPTMEN1KMT2APOLBALDH1A1
SCHEMBL6176850 0.79 MAPT (0.50) MAPTMEN1KMT2ATP53BLM
SCHEMBL6178286 0.76 MAPT (0.49) MAPTMEN1KMT2APOLBALDH1A1
SCHEMBL6179197 0.74 LMNA (0.48) MAPTMEN1KMT2APOLBALDH1A1
SCHEMBL6181312 0.72 MEN1 (0.48) MAPTMEN1KMT2APOLBTP53
SCHEMBL6178509 0.72 CA1 (0.46) MAPTMEN1KMT2AALDH1A1CA1
SCHEMBL15946681 0.70 MAPK3 (0.53) MAPK1
SCHEMBL19861988 0.69 ALDH1A1 (0.53) MAPTMEN1KMT2ATP53ALDH1A1

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
EP-1132387-B1 PYRIMIDINYLBENZIMIDAZOLE AND TRIAZINYLBENZIMIDAZOLE DERIVATIVES AND AGRICULTURAL/HORTICULTURAL FUNGICIDES KUMIAI CHEMICAL INDUSTRY CO (JP) 2005-09-28 EP claimed