SCHEMBL28034860

SCHEMBL28034860

O=C(O)c1cn(-c2ccccc2Oc2ccc(Cl)cc2Cl)nn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC8 Q9BY41 1/20 0.50
▸ KCNMA1 Q12791 1/20 0.49
▸ CHRM1 P11229 1/20 0.48
▸ MAPT P10636 3/20 0.46
▸ PLA2G1B P04054 1/20 0.46
▸ ATG4B Q9Y4P1 1/20 0.46
▸ NOTUM Q6P988 1/20 0.45
▸ TTR P02766 3/20 0.44
▸ MRGPRX4 Q96LA9 3/20 0.43
▸ HPGD P15428 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ MARS1 P56192 1/20 0.41
▸ LMNA P02545 2/20 0.40
▸ NR1I2 O75469 1/20 0.40
▸ PGR P06401 1/20 0.40
▸ HSP90AA1 P07900 1/20 0.40
▸ ADORA3 P0DMS8 1/20 0.40

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
SCHEMBL5614060 0.78 KCNMA1 (0.41) HDAC8KCNMA1
SCHEMBL15882889 0.76 CA2 (0.48) NOTUM
SCHEMBL9204355 0.75 HTT (0.49) CHRM1MAPTPLA2G1BATG4BTTR
SCHEMBL1514806 0.74 CHRM1 (0.46) KCNMA1CHRM1MAPTPLA2G1BATG4B
SCHEMBL16982962 0.72 KCNMA1 (0.54) HDAC8KCNMA1NOTUMMRGPRX4LMNA
SCHEMBL30994998 0.72 NOTUM (0.52) HDAC8KCNMA1NOTUMMARS1
SCHEMBL16753902 0.72 NOTUM (0.52) HDAC8KCNMA1NOTUMMARS1
SCHEMBL6053268 0.72 CHRM1 (0.46) CHRM1MAPTPLA2G1BATG4BTTR
SCHEMBL28034215 0.72 SLC6A2 (0.42) CHRM1MAPTPLA2G1BATG4BTTR
SCHEMBL2820469 0.72 BRD4 (0.66) NOTUMHPGDSLC6A2SLC6A3PTGER1

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-103373969-B Phenyl azoles ring substituted amide compounds and its production and use SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2015-09-16 — — CN disclosed
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