SCHEMBL6170218

SCHEMBL6170218

NC(N)(N[C]=O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 4/20 0.44
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
CYP1A2 P05177 2/20 0.35
CYP2D6 P10635 1/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA5A P35218 1/20 0.34
CA9 Q16790 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL2074396 0.76 KCNN4 (0.48) KCNN4HDAC3HDAC4HDAC1HDAC7
SCHEMBL3114470 0.73 HDAC3 (0.45) KCNN4HDAC3HDAC4HDAC1HDAC7
SCHEMBL1549012 0.73 HDAC3 (0.45) KCNN4HDAC3HDAC4HDAC1HDAC7
SCHEMBL3249773 0.73 TSHR (0.44) KCNN4HDAC3HDAC4HDAC1HDAC7
SCHEMBL3246081 0.73 TSHR (0.44) KCNN4HDAC3HDAC4HDAC1HDAC7
SCHEMBL3665471 0.70 HDAC3 (0.47) KCNN4HDAC3HDAC4HDAC1HDAC7
SCHEMBL9820206 0.69 KCNN4 (0.50) KCNN4CYP1A2CYP2D6CA1CA2
SCHEMBL6379499 0.69 KCNN4 (0.50) KCNN4CYP1A2CYP2D6CA1CA2
SCHEMBL9853003 0.68 KCNN4 (0.41) KCNN4HDAC3HDAC4HDAC1HDAC7
SCHEMBL3249429 0.68 CYP2D6 (0.40) KCNN4HDAC3HDAC4HDAC1HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1000932-B9 AROMATIC RING DERIVATIVES FUJISAWA PHARMACEUTICAL CO (JP) 2005-12-28 EP disclosed
EP-0882718-B1 BENZIMIDAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO (JP) 2005-08-31 EP disclosed
EP-1000932-B1 AROMATIC RING DERIVATIVES FUJISAWA PHARMACEUTICAL CO (JP) 2004-09-15 EP disclosed
US-6410584-B1 ANTICANCER AGENTS CELL PATHWAYS, INC. 2002-06-25 US disclosed
US-6352985-B1 CARDIOVASCULAR DISORDERS OR GASTROINTESTINAL DISORDERS, DIABETES (TYPE II DIABETES), DIABETIC COMPLICATIONS METHOD FOR LOWERING THE BLOOD SUGAR LEVEL OF A PATIENT, FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-03-05 US disclosed
EP-1132087-A1 REMEDIES FOR POLYCYSTIC OVARY SYNDROME FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-09-12 EP disclosed
US-6242474-B1 SULFONYLCARBAMOYLALKYLIMIDAZOLE DERIVATIVES; ANTIDIABETIC AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-06-05 US disclosed
US-6166219-A Benzimidazole derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-12-26 US disclosed
EP-1000932-A1 AROMATIC RING DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-05-17 EP disclosed
EP-0882718-A1 BENZIMIDAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-12-09 EP disclosed