SCHEMBL28375748

SCHEMBL28375748

O=[N+]([O-])c1ccc(-c2ccccc2)cc1.O=[N+]([O-])c1ccc(-c2ccccc2)cc1.SS

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.71
POLB P06746 1/20 0.71
ALDH1A1 P00352 4/20 0.68
LMNA P02545 2/20 0.68
KMT2A Q03164 4/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
CRHBP P24387 2/20 0.57
CRHR2 Q13324 2/20 0.57
MEN1 O00255 2/20 0.57
ATM Q13315 1/20 0.57
TLR9 Q9NR96 1/20 0.57
HPGD P15428 1/20 0.57
ALOX12 P18054 1/20 0.57
CA12 O43570 1/20 0.55
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
CA9 Q16790 1/20 0.55
CA14 Q9ULX7 1/20 0.55
CES2 O00748 1/20 0.55
CES1 P23141 1/20 0.55

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
SCHEMBL167524 0.98 MAPK1 (0.74) MAPK1POLBALDH1A1LMNAKMT2A
SCHEMBL25187033 0.98 MAPK1 (0.74) MAPK1POLBALDH1A1LMNAKMT2A
Hydrochloric Acid SCHEMBL27456794 0.95 MAPK1 (0.71) MAPK1POLBALDH1A1LMNAKMT2A
Water SCHEMBL28196816 0.95 MAPK1 (0.71) MAPK1POLBALDH1A1LMNAKMT2A
Water SCHEMBL4868802 0.95 MAPK1 (0.71) MAPK1POLBALDH1A1LMNAKMT2A
Ammonia Solution, Strong SCHEMBL9570816 0.95 MAPK1 (0.71) MAPK1POLBALDH1A1LMNAKMT2A
Biphenyl SCHEMBL27380379 0.95 ALDH1A1 (0.75) MAPK1POLBALDH1A1LMNAKMT2A
Formaldehyde SCHEMBL28138326 0.93 MAPK1 (0.69) MAPK1POLBALDH1A1LMNAKMT2A
Biphenyl SCHEMBL27846163 0.93 ALDH1A1 (0.71) MAPK1POLBALDH1A1LMNAKMT2A
Methylamine SCHEMBL9267123 0.91 MAPK1 (0.67) MAPK1POLBALDH1A1LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110903226-A Method for preparing p-mercaptoazobenzene by using p-nitrodiphenyl disulfide as raw material 沈阳师范大学 2020-03-24 CN claimed
CN-107722049-B Preparation and application of novel ionic binuclear Schiff base titanium complex 山西医科大学 2020-06-30 CN disclosed
CN-110903226-A Method for preparing p-mercaptoazobenzene by using p-nitrodiphenyl disulfide as raw material 沈阳师范大学 2020-03-24 CN disclosed
CN-110903226-A Method for preparing p-mercaptoazobenzene by using p-nitrodiphenyl disulfide as raw material 沈阳师范大学 2020-03-24 CN disclosed
CN-110903226-A Method for preparing p-mercaptoazobenzene by using p-nitrodiphenyl disulfide as raw material 沈阳师范大学 2020-03-24 CN disclosed