SCHEMBL30744019

SCHEMBL30744019

Nc1ccc(Oc2ccccc2)c(OCC2COC2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 2/20 0.56
NTRK3 Q16288 2/20 0.56
NTRK2 Q16620 2/20 0.56
MAOB P27338 2/20 0.38
MAOA P21397 1/20 0.38
NCOA1 Q15788 1/20 0.37
NCOA3 Q9Y6Q9 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
NLRP3 Q96P20 1/20 0.36
MCHR1 Q99705 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HRH1 P35367 1/20 0.35

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
SCHEMBL21295383 1.00 NTRK1 (0.56) NTRK1NTRK3NTRK2MAOBMAOA
SCHEMBL30744015 0.79 NTRK1 (0.54) NTRK1NTRK3NTRK2CYP1A2CYP3A4
SCHEMBL21295568 0.79 NTRK1 (0.54) NTRK1NTRK3NTRK2CYP1A2CYP3A4
SCHEMBL21295545 0.76 NTRK1 (0.54) NTRK1NTRK3NTRK2MEN1NPC1
SCHEMBL30140430 0.76 HTR2C (0.37) NTRK1NTRK3NTRK2CYP3A4MCHR1
SCHEMBL5548836 0.75 MAPT (0.56) NTRK1NTRK3NTRK2MAOBMAOA
SCHEMBL21295371 0.74 NTRK1 (0.52) NTRK1NTRK3NTRK2KMT2AMCHR1
SCHEMBL30744035 0.74 NTRK1 (0.52) NTRK1NTRK3NTRK2KMT2AMCHR1
SCHEMBL19990170 0.74 MAOA (0.56) MAOBMAOANCOA1NCOA3CYP1A2
SCHEMBL5481920 0.74 TDP1 (0.62) NTRK1NTRK3NTRK2CYP3A4TDP1

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