SCHEMBL6198481

SCHEMBL6198481

COc1ccc(-c2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1OC

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.64
MAPT P10636 9/20 0.59
RAB9A P51151 7/20 0.59
RECQL P46063 1/20 0.59
ALDH1A1 P00352 6/20 0.56
MEN1 O00255 5/20 0.56
KMT2A Q03164 5/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
KDM4E B2RXH2 3/20 0.56
NPC1 O15118 3/20 0.56
HTT P42858 1/20 0.56
EIF4E P06730 2/20 0.55
CSNK2A1 P68400 1/20 0.53
GAA P10253 2/20 0.52
POLB P06746 1/20 0.51
VCP P55072 1/20 0.50
MAOA P21397 1/20 0.50
MAOB P27338 1/20 0.50
LMNA P02545 2/20 0.49
CYP1A1 P04798 1/20 0.49

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
SCHEMBL7539617 0.86 EIF4E (0.62) KMOMAPTRAB9ARECQLALDH1A1
SCHEMBL6198667 0.83 ALDH1A1 (0.72) MAPTRAB9AALDH1A1MEN1KMT2A
SCHEMBL6199744 0.81 EIF4E (0.55) MAPTRAB9ARECQLALDH1A1MEN1
SCHEMBL19196243 0.81 MEN1 (0.63) MAPTRAB9AALDH1A1MEN1KMT2A
SCHEMBL6197622 0.80 ALDH1A1 (0.65) MAPTRAB9AALDH1A1MEN1KMT2A
SCHEMBL7532579 0.80 HSD17B1 (0.72) MAPTRAB9AALDH1A1MEN1KMT2A
SCHEMBL6199409 0.80 ALDH1A1 (0.57) MAPTRAB9AALDH1A1MEN1KMT2A
SCHEMBL19196240 0.79 CSNK2A1 (0.64) MAPTRAB9AALDH1A1MEN1KMT2A
SCHEMBL10148164 0.78 KMO (0.67) KMOMAPTRAB9ARECQLALDH1A1
SCHEMBL424256 0.78 KMO (1.00) KMOMAPTRAB9ARECQLMEN1

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 9 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
EP-0513387-A1 ACTIVE OXYGEN INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-11-19 EP disclosed