SCHEMBL7987510

SCHEMBL7987510

COc1ccc(Nc2ccccc2)c([N+](=O)[O-])c1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
MAPK1 P28482 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
CASP7 P55210 1/20 0.46
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
LMNA P02545 1/20 0.45
POLB P06746 1/20 0.45
CTSV O60911 2/20 0.45
CTSL P07711 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
ANO1 Q5XXA6 1/20 0.44
ANO2 Q9NQ90 1/20 0.44
ABCB1 P08183 1/20 0.44
MAPT P10636 5/20 0.43
GFER P55789 1/20 0.43
HTT P42858 2/20 0.43
GAA P10253 1/20 0.43
CRHBP P24387 1/20 0.43

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
SCHEMBL7993363 0.84 ALDH1A1 (0.54) ALDH1A1L3MBTL1MAPK1TDP1CASP7
SCHEMBL27686975 0.76 TDP1 (0.46) ALDH1A1L3MBTL1TDP1MEN1KMT2A
SCHEMBL11331546 0.75 MAPT (0.62) ALDH1A1L3MBTL1MAPK1TDP1MEN1
SCHEMBL622250 0.75 MAPT (0.47) ALDH1A1L3MBTL1MAPK1TDP1MEN1
SCHEMBL16174932 0.74 TDP1 (0.67) ALDH1A1L3MBTL1MAPK1TDP1CASP7
SCHEMBL7990043 0.74 ALDH1A1 (0.57) ALDH1A1L3MBTL1MAPK1TDP1CASP7
SCHEMBL9792985 0.72 TDP1 (0.46) ALDH1A1L3MBTL1TDP1MEN1KMT2A
SCHEMBL8136793 0.72 ALDH1A1 (0.52) ALDH1A1L3MBTL1MAPK1TDP1MEN1
SCHEMBL14420116 0.72 TDP1 (0.49) ALDH1A1L3MBTL1TDP1MEN1KMT2A
SCHEMBL30354998 0.72 RAB9A (0.60) ALDH1A1L3MBTL1MAPK1TDP1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6218388-B1 THERAPY OF PROTEIN TYROSINE KINASE MEDIATED CANCER, ATHEROSCLEROSIS, RESTENOSIS, AND PSORIASIS BY ADMINISTERING BENZIMIDAZOLE DERIVATIVE WARNER-LAMBERT COMPANY 2001-04-17 US disclosed
US-5990146-A TREATING PROTEIN TYROSINE KINASE MEDIATED CANCER; ANTICARCINOGENIC AGENTS; ATHEROSCLEROSIS; RESTENOSIS; PSORIASIS; ANTIPROLIFERATIVE AGENTS WARNER-LAMBERT COMPANY (US) 1999-11-23 US disclosed