SCHEMBL14922940

SCHEMBL14922940

Cc1ccc(OCN=[N+]=[N-])cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 4/20 0.41
▸ DRD4 P21917 4/20 0.41
▸ DRD3 P35462 4/20 0.41
▸ WDR5 P61964 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ ACHE P22303 1/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ KCNH2 Q12809 2/20 0.39
▸ GAA P10253 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ CASP3 P42574 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ SENP8 Q96LD8 1/20 0.38
▸ SENP7 Q9BQF6 1/20 0.38
▸ SENP6 Q9GZR1 1/20 0.38
▸ MAPT P10636 1/20 0.37
▸ HPGD P15428 1/20 0.37

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
SCHEMBL15417787 0.82 SMN1; SMN2 (0.41) L3MBTL1NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL15385189 0.82 ADRB2 (0.31) —
SCHEMBL13820168 0.82 DRD2 (0.48) DRD2DRD4DRD3WDR5L3MBTL1
SCHEMBL24438026 0.82 APP (0.45) KCNH2
SCHEMBL26079051 0.82 TDP1 (0.47) L3MBTL1NPC1RAB9AGAASMN1; SMN2
SCHEMBL26193250 0.81 KMT2A (0.41) L3MBTL1NPC1RAB9AMEN1KMT2A
SCHEMBL13866492 0.81 KCNA3 (0.44) DRD2DRD4DRD3KCNH2
SCHEMBL22764589 0.80 DRD2 (0.52) DRD2DRD4DRD3L3MBTL1KCNH2
SCHEMBL16301061 0.79 LTA4H (0.41) NPC1RAB9AMEN1KMT2ACASP3
SCHEMBL15923042 0.77 DRD2 (0.49) DRD2DRD4DRD3L3MBTL1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3167887-A1 ARYL AMINE SUBSTITUTED QUINOXALINE USED AS ANTICANCER DRUGS Chen, Kuenfeng (TW) 2017-05-17 — — EP disclosed
WO-2015189331-A1 USE AS RODENTICIDES OF COMPOUNDS THAT INHIBIT BLOOD COAGULATION GULBA DIETRICH (DE) 2015-12-17 — — WO disclosed
EP-2918590-A1 COMPOSITION FOR CHARGE-TRANSPORT FILM AND IONIC COMPOUND, CHARGE-TRANSPORT FILM AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME, AND PRODUCTION METHOD OF THE ORGANIC ELECTROLUMINESCENCE DEVICE AND PRODUCTION METHOD OF THE CHARGE-TRANSPORT FILM Mitsubishi Chemical Corporation (JP) 2015-09-16 — — EP disclosed
EP-2842956-A1 PARP inhibitor compounds, compositions and methods of use Eisai Inc. (US) 2015-03-04 — — EP disclosed
EP-2590026-A1 Colored resin powder and toner using the colored resin powder Canon Kabushiki Kaisha (JP) 2013-05-08 — — EP disclosed
EP-2094692-B1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1 AND/OR NF-KAPPAB ACTIVITY AND USE THEREOF BRISTOL MYERS SQUIBB CO (US) 2012-11-28 — — EP disclosed
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