SCHEMBL30744017

SCHEMBL30744017

COc1cc(Oc2ccccc2)c(C)cc1NC(=O)Nc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 11/20 0.62
KMT2A Q03164 11/20 0.62
MAPT P10636 11/20 0.62
ALDH1A1 P00352 5/20 0.62
HPGD P15428 4/20 0.55
KDM4E B2RXH2 3/20 0.55
NPSR1 Q6W5P4 2/20 0.55
HSD17B10 Q99714 1/20 0.55
RCE1 Q9Y256 1/20 0.55
POLB P06746 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
HTT P42858 1/20 0.54
MAPK1 P28482 2/20 0.53
LMNA P02545 2/20 0.53
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51

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
SCHEMBL21295361 1.00 MEN1 (0.62) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL30744032 0.88 MAPT (0.52) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL21295540 0.88 MAPT (0.52) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL21295391 0.82 MEN1 (0.63) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL30744020 0.82 MEN1 (0.63) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL4555017 0.81 MAPT (0.71) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL21295336 0.80 MAPT (0.62) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL30743994 0.80 MAPT (0.62) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL8703652 0.80 KMT2A (0.66) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL21295431 0.80 STK39 (0.58) MEN1KMT2AMAPTALDH1A1SMN1; SMN2

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-111819172-B Triazine derivatives for the treatment of neurotrophin related diseases 阿泽克制药公司 2024-02-06 CN disclosed