SCHEMBL7413719

SCHEMBL7413719

Nc1ccc(C2(C(=O)c3cccnc3)CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F7 P08709 1/20 0.47
F3 P13726 1/20 0.47
SARM1 Q6SZW1 1/20 0.47
SIRT2 Q8IXJ6 1/20 0.47
SIRT6 Q8N6T7 1/20 0.47
SIRT1 Q96EB6 1/20 0.47
SIRT3 Q9NTG7 1/20 0.47
SIRT5 Q9NXA8 1/20 0.47
SIRT4 Q9Y6E7 1/20 0.47
ALDH1A1 P00352 5/20 0.45
GAA P10253 2/20 0.45
APP P05067 1/20 0.45
HCAR3 P49019 1/20 0.45
HCAR2 Q8TDS4 1/20 0.45
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
HDAC1 Q13547 3/20 0.43
HDAC6 Q9UBN7 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC2 Q92769 1/20 0.40

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
SCHEMBL7416558 0.86 ALDH1A1 (0.53) F7F3SARM1SIRT2SIRT6
SCHEMBL7412060 0.81 MAPT (0.55) ALDH1A1LMNAMAPTKMT2A
SCHEMBL28059851 0.81 AKR1C1 (0.53) F7F3SARM1SIRT2SIRT6
SCHEMBL7415701 0.79 HDAC1 (0.41) F7F3SARM1SIRT2SIRT6
SCHEMBL7418588 0.77 PLOD2 (0.44) ALDH1A1HDAC1PLOD2LMNATSHR
SCHEMBL7418585 0.77 PLOD2 (0.39) F7F3SARM1SIRT2SIRT6
SCHEMBL5740016 0.73 F7 (0.58) F7F3SARM1SIRT2SIRT6
Chloromethane SCHEMBL27460578 0.69 F7 (0.53) F7F3SARM1SIRT2SIRT6
SCHEMBL22422383 0.69 PKM (0.62) ALDH1A1LMNAMAPTKMT2A
SCHEMBL10002454 0.68 OPRM1 (0.49) F7F3SARM1SIRT2SIRT6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1095025-B1 BENZIMIDAZOLES, PRODUCTION THEREOF AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA (DE) 2002-12-11 EP disclosed
US-6248770-B1 CARDIOVASCULAR DISORDERS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-06-19 US disclosed
EP-1095025-A2 BENZIMIDAZOLES, PRODUCTION THEREOF AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM KG (DE) 2001-05-02 EP disclosed
WO-2000001704-A2 BENZIMIDAZOLES, PRODUCTION THEREOF AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-01-13 WO disclosed