SCHEMBL8978598

SCHEMBL8978598

O=[N+]([O-])c1ccc(-c2n[nH]c(=S)n2-c2ccccc2)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.66
MEN1 O00255 5/20 0.66
KMT2A Q03164 5/20 0.66
HPGD P15428 3/20 0.66
KDM4E B2RXH2 6/20 0.60
GFER P55789 2/20 0.60
LMNA P02545 2/20 0.59
PKM P14618 1/20 0.59
APOBEC3G Q9HC16 3/20 0.59
PPARG P37231 1/20 0.58
NCOA2 Q15596 1/20 0.58
NCOA1 Q15788 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
CA12 O43570 2/20 0.57
CA1 P00915 2/20 0.57
CA2 P00918 2/20 0.57
CA9 Q16790 2/20 0.57
GAA P10253 1/20 0.57
HSD17B10 Q99714 1/20 0.57
POLB P06746 1/20 0.57

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
SCHEMBL7072642 0.82 ALDH1A1 (0.81) ALDH1A1MEN1KMT2AHPGDKDM4E
SCHEMBL8978517 0.79 ALDH1A1 (0.75) ALDH1A1MEN1KMT2AHPGDKDM4E
SCHEMBL5429664 0.79 ALDH1A1 (0.75) ALDH1A1MEN1KMT2AHPGDKDM4E
SCHEMBL12490798 0.77 APOBEC3G (0.50) ALDH1A1MEN1KMT2AKDM4EGFER
SCHEMBL17673661 0.77 APOBEC3G (0.68) ALDH1A1MEN1KMT2AHPGDKDM4E
SCHEMBL13729062 0.77 TDP1 (0.75) ALDH1A1MEN1KMT2AHPGDKDM4E
SCHEMBL8978622 0.76 HPGD (0.79) ALDH1A1MEN1KMT2AHPGDKDM4E
SCHEMBL9402205 0.75 ALDH1A1 (0.77) ALDH1A1MEN1KMT2AHPGDKDM4E
SCHEMBL8978542 0.75 ALDH1A1 (0.69) ALDH1A1MEN1KMT2AHPGDKDM4E
SCHEMBL8978623 0.74 APOBEC3G (1.00) ALDH1A1MEN1KMT2AHPGDKDM4E

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-5489598-A INHIBITS ADHESION OF MAC-1 TO ENDOTHELIAL CELLS, USEFUL FOR TREATING GASTRITIS INDUCED BY NONSTEROIDANTIINFLAMMATORY DRUGS IMFLAMMATORY BOWEL DISEASE OF ULCERATIVE COLITIS WARNER-LAMBERT COMPANY (US) 1996-02-06 US disclosed