SCHEMBL27985040

SCHEMBL27985040

Cn1c2ccccc2c2cc(O)ccc21

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.64
BCHE P06276 2/20 0.62
ACHE P22303 2/20 0.62
KDM4E B2RXH2 4/20 0.59
MEN1 O00255 4/20 0.58
KMT2A Q03164 4/20 0.58
MAPT P10636 4/20 0.58
ALDH1A1 P00352 3/20 0.58
HPGD P15428 3/20 0.58
HSD17B10 Q99714 2/20 0.58
HTT P42858 2/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
POLB P06746 3/20 0.50
CASP6 P55212 1/20 0.50
CACNA1B Q00975 1/20 0.50
APBA1 Q02410 1/20 0.50
NPY5R Q15761 1/20 0.49
RAB9A P51151 2/20 0.47
ALOX5 P09917 1/20 0.47
PTGS1 P23219 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
SCHEMBL11808516 0.89 BCHE (0.67) GPR3BCHEACHEKDM4EMEN1
SCHEMBL1538292 0.88 GPR3 (0.64) GPR3BCHEACHEKDM4EMEN1
SCHEMBL11378517 0.85 HTT (0.57) GPR3BCHEACHEKDM4EMEN1
SCHEMBL3423941 0.81 GPR3 (0.80) GPR3BCHEACHEKDM4EMEN1
SCHEMBL20384979 0.80 ACHE (0.57) BCHEACHEKDM4EMEN1KMT2A
SCHEMBL3875311 0.80 GPR3 (0.64) GPR3KDM4EMEN1KMT2AMAPT
SCHEMBL5713524 0.80 MEN1 (0.43) GPR3BCHEACHEKDM4EMEN1
SCHEMBL29461528 0.80 GPR3 (1.00) GPR3BCHEACHEKDM4EMEN1
SCHEMBL29321 0.80 GPR3 (1.00) GPR3BCHEACHEKDM4EMEN1
SCHEMBL5795432 0.79 MAPT (0.65) KDM4EMEN1KMT2AMAPTALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104231023-B Tricyclic fused heterocycle nucleoside phosphoramidate compound, preparation method and application 南京汇诚制药有限公司 2019-02-05 CN disclosed
CN-104231023-A Tricyclic fused-heterocyclic nucleoside phosphoramidate compound and preparation method and applications of tricyclic fused-heterocyclic nucleoside phosphoramidate compound NANJING SANHOME PHARMACEUTICAL CO LTD 2014-12-24 CN disclosed