SCHEMBL7916730

SCHEMBL7916730

C=C(O)CSc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
MAPT P10636 5/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
POLB P06746 1/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
IDO1 P14902 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
CYP2C19 P33261 1/20 0.43
CRHBP P24387 1/20 0.43
CASP3 P42574 1/20 0.43
CRHR2 Q13324 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 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
SCHEMBL877985 0.84 FFAR1 (0.57) ALDH1A1MAPTSMN1; SMN2POLBMEN1
SCHEMBL11212945 0.79 SMN1; SMN2 (0.58) ALDH1A1MAPTSMN1; SMN2POLBMEN1
SCHEMBL7224442 0.79 ALDH1A1 (0.52) ALDH1A1MAPTSMN1; SMN2POLBMEN1
SCHEMBL11212940 0.79 ALDH1A1 (0.51) ALDH1A1MAPTSMN1; SMN2POLBMEN1
SCHEMBL11904034 0.77 ALDH1A1 (0.61) ALDH1A1MAPTSMN1; SMN2POLBMEN1
SCHEMBL74124 0.77 ALDH1A1 (0.56) ALDH1A1MAPTPOLBMEN1KMT2A
SCHEMBL9787226 0.77 MAPT (0.64) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL8746689 0.77 ALDH1A1 (0.54) ALDH1A1MAPTPOLBMEN1KMT2A
SCHEMBL8746687 0.77 ALDH1A1 (0.64) ALDH1A1MAPTPOLBMEN1KMT2A
SCHEMBL14368887 0.76 ALDH1A1 (0.47) ALDH1A1MAPTSMN1; SMN2POLBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6235786-B1 RHEUMATIC DISORDERS; BONE DISORDERS; ORAL DISEASES; ANTIULCER AGENTS; ANTITUMOR AGENTS ABBOTT LABORATORIES 2001-05-22 US disclosed