SCHEMBL9312864

SCHEMBL9312864

O=C(c1cccnc1)c1ccc[nH]1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 1/20 0.54
ALDH1A1 P00352 3/20 0.52
APP P05067 1/20 0.52
GAA P10253 1/20 0.52
HCAR3 P49019 1/20 0.52
HCAR2 Q8TDS4 1/20 0.52
F7 P08709 1/20 0.50
F3 P13726 1/20 0.50
SARM1 Q6SZW1 1/20 0.50
SIRT2 Q8IXJ6 1/20 0.50
SIRT6 Q8N6T7 1/20 0.50
SIRT1 Q96EB6 1/20 0.50
SIRT3 Q9NTG7 1/20 0.50
SIRT5 Q9NXA8 1/20 0.50
SIRT4 Q9Y6E7 1/20 0.50
LMNA P02545 3/20 0.49
HDAC1 Q13547 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
JAK3 P52333 1/20 0.45
PLOD2 O00469 1/20 0.45

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
SCHEMBL1141370 0.79 MAP2K1 (0.54) MAP2K1ALDH1A1APPGAAHCAR3
SCHEMBL1074961 0.79 ALDH1A1 (0.56) ALDH1A1GAACCND3CDK6CYP1A2
SCHEMBL1242243 0.79 ALDH1A1 (0.71) MAP2K1ALDH1A1APPGAAHCAR3
SCHEMBL29915528 0.79 ALDH1A1 (0.71) MAP2K1ALDH1A1APPGAAHCAR3
SCHEMBL30706508 0.77 ALDH1A1 (0.69) MAP2K1ALDH1A1APPGAAHCAR3
SCHEMBL125431 0.77 ALDH1A1 (0.69) MAP2K1ALDH1A1APPGAAHCAR3
Hydrochloric Acid SCHEMBL29381203 0.77 RAB9A (0.54) ALDH1A1GAACCND3CDK6CYP1A2
SCHEMBL1892162 0.77 RAB9A (0.54) ALDH1A1GAACCND3CDK6CYP1A2
Hydrochloric Acid SCHEMBL27841975 0.77 ALDH1A1 (0.68) MAP2K1ALDH1A1APPGAAHCAR3
SCHEMBL18228407 0.76 MEN1 (0.69) MAP2K1ALDH1A1APPGAAHCAR3

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
US-5374641-A Thromboxane synthetase inhibitors, prostaglandin H2 antagonist , anticoagulants and antiallergens TERUMO KABUSHIKI KAISHA (JP) 1994-12-20 US disclosed
EP-0501876-A1 N-(3-pyridylalkyl)sulfonamide derivative and pharmaceutical preparation containing thereof TERUMO KABUSHIKI KAISHA (JP) 1992-09-02 EP disclosed