SCHEMBL7467601

SCHEMBL7467601

C#CNC(=O)c1cccnc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.62
HDAC6 Q9UBN7 1/20 0.62
THRB P10828 1/20 0.57
LMNA P02545 1/20 0.57
HIF1A Q16665 1/20 0.57
ROCK2 O75116 1/20 0.56
ROCK1 Q13464 1/20 0.56
ALDH1A1 P00352 3/20 0.53
GAA P10253 2/20 0.53
APP P05067 1/20 0.53
HCAR3 P49019 1/20 0.53
HCAR2 Q8TDS4 1/20 0.53
KMT2A Q03164 1/20 0.53
F7 P08709 1/20 0.52
F3 P13726 1/20 0.52
SARM1 Q6SZW1 1/20 0.52
SIRT2 Q8IXJ6 1/20 0.52
SIRT6 Q8N6T7 1/20 0.52
SIRT1 Q96EB6 1/20 0.52
SIRT3 Q9NTG7 1/20 0.52

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
SCHEMBL3247808 0.84 HDAC1 (0.65) HDAC1HDAC6THRBLMNAHIF1A
SCHEMBL2718279 0.82 HDAC1 (0.62) HDAC1HDAC6THRBLMNAHIF1A
SCHEMBL3248996 0.82 HDAC1 (0.62) HDAC1HDAC6THRBLMNAHIF1A
SCHEMBL6246677 0.79 HDAC1 (0.69) HDAC1HDAC6THRBLMNAHIF1A
SCHEMBL2000041 0.79 HDAC1 (0.74) HDAC1HDAC6THRBLMNAHIF1A
SCHEMBL5361880 0.79 HDAC1 (0.74) HDAC1HDAC6THRBLMNAHIF1A
SCHEMBL10647871 0.78 THRB (0.66) HDAC1HDAC6THRBLMNAHIF1A
Nicoxamat SCHEMBL93839 0.77 HDAC1 (1.00) HDAC1HDAC6THRBLMNAHIF1A
SCHEMBL300028 0.77 ALOX15 (0.54) HDAC1HDAC6ALDH1A1GAAKMT2A
SCHEMBL833522 0.76 HDAC1 (0.54) HDAC1HDAC6THRBLMNAHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3558399-B1 MULTI-LAYER WOUND CARE PRODUCT WITH PERFORATED RELEASE LAYER BSN MEDICAL GMBH (DE) 2021-01-20 EP claimed
EP-3338813-B1 MULTI-LAYER WOUND CARE PRODUCT WITH PERFORATED RELEASE LAYER BSN MEDICAL GMBH (DE) 2020-01-29 EP claimed
EP-0143001-B1 PYRIMIDOISOQUINOLINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-04-10 EP claimed
EP-0126094-A1 NEW 1,4-DIHYDROPYRIDINE ESTERS AND PREPARATION METHODS THEREOF AND DRUGS CONTAINING SAID ESTERS. CERMOL SA (CH) 1984-11-28 EP claimed
WO-1984002132-A1 NEW 1,4-DIHYDROPYRIDINE ESTERS AND PREPARATION METHODS THEREOF AND DRUGS CONTAINING SAID ESTERS CERMOL SA (CH) 1984-06-07 WO claimed
EP-0126094-B1 NEW 1,4-DIHYDROPYRIDINE ESTERS AND PREPARATION METHODS THEREOF AND DRUGS CONTAINING SAID ESTERS CERMOL S.A. (CH) 1990-06-20 EP disclosed
EP-0126094-A1 NEW 1,4-DIHYDROPYRIDINE ESTERS AND PREPARATION METHODS THEREOF AND DRUGS CONTAINING SAID ESTERS. CERMOL SA (CH) 1984-11-28 EP disclosed
WO-1984002132-A1 NEW 1,4-DIHYDROPYRIDINE ESTERS AND PREPARATION METHODS THEREOF AND DRUGS CONTAINING SAID ESTERS CERMOL SA (CH) 1984-06-07 WO disclosed