SCHEMBL6197328

SCHEMBL6197328

CCCN1[CH]CCc2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
USP2 O75604 1/20 0.43
CDK4 P11802 1/20 0.43
ALOX15 P16050 1/20 0.43
CCND1 P24385 1/20 0.43
CHRM2 P08172 5/20 0.41
CHRM1 P11229 5/20 0.41
DRD2 P14416 5/20 0.41
CHRM3 P20309 5/20 0.41
DRD3 P35462 5/20 0.41
CHRM4 P08173 4/20 0.41
CHRM5 P08912 4/20 0.41
DRD4 P21917 4/20 0.41
ADRA2B P18089 3/20 0.41
ADRA2C P18825 3/20 0.41
ADRA2A P08913 1/20 0.41
LMNA P02545 4/20 0.40
HTR2A P28223 3/20 0.39

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
SCHEMBL6197010 0.87 ALDH1A1 (0.49) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL2157866 0.85 ALDH1A1 (0.41) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL1450281 0.82 ALDH1A1 (0.43) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL7835294 0.81 ALDH1A1 (0.45) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL1450327 0.81 LMNA (0.58) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL1450910 0.75 MEN1 (0.45) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL22018905 0.73 HTR2A (0.61) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL7835662 0.71 DRD2 (0.44) ALDH1A1MEN1KMT2ACHRM2CHRM1
SCHEMBL9008263 0.71 ALDH1A1 (0.42) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL4935582 0.70 ALDH1A1 (0.78) ALDH1A1MEN1KMT2AUSP2CDK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1130017-B1 Azole derivatives and their use as superoxide radical inhibitors OTSUKA PHARMA CO LTD (JP) 2005-06-15 EP disclosed
EP-0934937-B1 Azole derivatives as superoxide radical inhibitor OTSUKA PHARMA CO LTD (JP) 2002-02-27 EP disclosed
US-RE37556-E1 (ALKOXYPHENYL)THIAZOLE DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2002-02-19 US disclosed
EP-1130017-A2 Azole derivatives and their use as superoxide radical inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2001-09-05 EP disclosed
US-6080764-A PROTECTING VARIOUS TISSUE CELLS FROM DISTURBANCES ASSOCIATED WITH ISCHEMIA AND BLOOD REPERFUSION IN HEART, BRAIN, KIDNEY, LUNG AND DIGESTIVE TRACT BY INHIBITING SUPEROXIDE-RELEASE BY NEUTROPHILIC LEUKOCYTES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2000-06-27 US disclosed
EP-0934937-A1 Azole derivatives as superoxide radical inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1999-08-11 EP disclosed
US-5677319-A THIAZOLE DERIVATIVE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-10-14 US disclosed
US-5643932-A PREVENTS CELL DAMAGE AFTER ISCHEMIA AND RE-PERFUSION, SUBSTITUTED THIAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-07-01 US disclosed
US-5639770-A SUPEROXIDE INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-06-17 US disclosed
EP-0600092-A1 THIAZOLE DERIVATIVE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-06-08 EP disclosed
EP-0513387-A1 ACTIVE OXYGEN INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-11-19 EP disclosed