SCHEMBL7014254

SCHEMBL7014254

Cc1c[nH]c(=O)c([N+](=O)[O-])c1Sc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
NTSR1 P30989 1/20 0.43
KMT2A Q03164 1/20 0.43
ATM Q13315 1/20 0.43
MAPT P10636 3/20 0.40
LMNA P02545 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 6/20 0.39
TDP1 Q9NUW8 2/20 0.39
TYMS P04818 3/20 0.38
MCL1 Q07820 1/20 0.38
GAA P10253 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
KDM4E B2RXH2 2/20 0.36
HPGD P15428 2/20 0.36
TSHR P16473 2/20 0.36
CYP3A4 P08684 1/20 0.35

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
SCHEMBL7011304 0.87 SMN1; SMN2 (0.44) MEN1NTSR1KMT2AATMLMNA
SCHEMBL7008607 0.83 KDM4E (0.43) MEN1NTSR1KMT2AATMMAPT
SCHEMBL8081107 0.80 GAA (0.54) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL7010896 0.76 MAPT (0.46) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL7009965 0.76 MAPT (0.47) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL8081511 0.72 GFER (0.37) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL8072217 0.71 ALDH1A1 (0.49) MEN1NTSR1KMT2AATMMAPT
SCHEMBL7009673 0.69 KDM4E (0.40) MEN1NTSR1KMT2AATMMAPT
SCHEMBL16654615 0.69 POLB (0.47) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL16654889 0.68 GRIN2D (0.50) MEN1KMT2AALDH1A1TDP1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0843663-B9 4-ARYL-THIO-PYRIDIN-2(1H)-ONES, DRUGS CONTAINING SAME, AND USES THEREOF FOR TREATING HIV-RELATED DISEASES CENTRE NAT RECH SCIENT (FR) 2003-10-29 EP disclosed
EP-0843663-B1 4-ARYL-THIO-PYRIDIN-2(1H)-ONES, DRUGS CONTAINING SAME, AND USES THEREOF FOR TREATING HIV-RELATED DISEASES CENTRE NAT RECH SCIENT (FR) 2003-04-09 EP disclosed
US-6015820-A VIRICIDES; AIDS TREATMENT CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2000-01-18 US disclosed
WO-1997005113-A1 4-ARYL-THIO-PYRIDIN-2(1H)-ONES, DRUGS CONTAINING SAME, AND USES THEREOF FOR TREATING HIV-RELATED DISEASES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 1997-02-13 WO disclosed