SCHEMBL28116665

SCHEMBL28116665

COc1cc(-c2nc3ccc(C(C)C)cc3[nH]2)cc(OC)c1OC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
KDM4E B2RXH2 3/20 0.58
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
GAA P10253 1/20 0.58
MAPT P10636 1/20 0.58
BLM P54132 1/20 0.58
RXFP1 Q9HBX9 1/20 0.58
AMY1A P0DUB6 8/20 0.53
ALOX5 P09917 1/20 0.52
EPHX2 P34913 1/20 0.52
PARP1 P09874 1/20 0.48
CHEK2 O96017 2/20 0.48
HPGD P15428 3/20 0.47
NPC1 O15118 2/20 0.47
TP53 P04637 2/20 0.47
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47
PKM P14618 1/20 0.47

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
SCHEMBL12763752 0.81 NPC1 (0.67) ALDH1A1SMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL13160197 0.80 HDAC3 (0.65) ALDH1A1SMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL7917574 0.79 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL12763751 0.77 MAPT (0.62) ALDH1A1SMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL28116653 0.77 HDAC3 (0.52) ALDH1A1SMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL31030915 0.76 CHEK2 (0.70) CHEK2
SCHEMBL7916899 0.74 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL10737170 0.73 KDM4E (0.51) ALDH1A1SMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL30442918 0.73 KDM4E (0.59) ALDH1A1SMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL31154221 0.73 MEN1 (0.51) ALDH1A1SMN1; SMN2KDM4EMEN1KMT2A

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
CN-104072425-B Benzimidazole compound and application thereof 大连理工大学 2016-12-07 CN disclosed