SCHEMBL21331685

SCHEMBL21331685

COCCCOc1cc(O)c(Br)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.43
MAOA P21397 1/20 0.42
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 2/20 0.41
L3MBTL1 Q9Y468 6/20 0.40
POLB P06746 2/20 0.40
HPGD P15428 5/20 0.37
USP2 O75604 2/20 0.37
ALDH1A1 P00352 4/20 0.37
CYP1A2 P05177 3/20 0.37
TDP1 Q9NUW8 2/20 0.37
CYP2D6 P10635 1/20 0.37
MAPT P10636 4/20 0.36
CYP2C9 P11712 3/20 0.36
CYP2C19 P33261 3/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
ALOX12 P18054 1/20 0.36

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
SCHEMBL19640186 0.82 L3MBTL1 (0.44) KDM4ENPC1RAB9ASMN1; SMN2LMNA
SCHEMBL21331710 0.82 MAPT (0.43) KDM4ENPC1RAB9ASMN1; SMN2LMNA
SCHEMBL19640185 0.81 KDM4E (0.41) KDM4ENPC1RAB9ASMN1; SMN2LMNA
SCHEMBL21331704 0.81 MAOA (0.42) KDM4EMAOANPC1RAB9ASMN1; SMN2
SCHEMBL21331692 0.79 KDM4E (0.40) KDM4ENPC1RAB9ASMN1; SMN2LMNA
SCHEMBL19640210 0.79 NPC1 (0.40) KDM4ENPC1RAB9ASMN1; SMN2LMNA
SCHEMBL19640196 0.77 LMNA (0.50) KDM4ENPC1RAB9ASMN1; SMN2LMNA
SCHEMBL22714672 0.77 HTT (0.50) KDM4EMAOANPC1RAB9ASMN1; SMN2
SCHEMBL22146466 0.77 KDM4E (0.41) KDM4EMAOANPC1RAB9ASMN1; SMN2
SCHEMBL17744476 0.77 GAA (0.45) NPC1ALDH1A1MAPTMEN1KMT2A

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
WO-2019169539-A1 NOVEL OXA-AND AZA-TRICYCLIC 4-PYRIDONE-3-CARBOXYLIC ACID FOR TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION PHARMARESOURCES (SHANGHAI) CO., LTD. (CN) 2019-09-12 WO disclosed