SCHEMBL8355135

SCHEMBL8355135

Cc1cc(C)n2nc(S(=O)(=O)Nc3ccccc3[N+](=O)[O-])nc2n1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.54
ALDH1A1 P00352 5/20 0.53
USP2 O75604 1/20 0.53
LMNA P02545 1/20 0.47
POLB P06746 5/20 0.47
NFKBIA P25963 1/20 0.44
RELA Q04206 1/20 0.44
MAPT P10636 2/20 0.43
PKM P14618 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL8824776 0.86 TSHR (0.56) TSHRALDH1A1USP2LMNAPOLB
SCHEMBL9832384 0.82 TSHR (0.58) TSHRALDH1A1USP2LMNAPOLB
SCHEMBL9832764 0.82 TSHR (0.51) TSHRALDH1A1USP2LMNAPOLB
SCHEMBL3783885 0.80 LMNA (0.54) TSHRALDH1A1USP2LMNAPOLB
SCHEMBL9831549 0.79 TSHR (0.53) TSHRALDH1A1USP2LMNAPOLB
SCHEMBL9831471 0.79 TSHR (0.55) TSHRALDH1A1USP2LMNAPOLB
SCHEMBL8355499 0.78 POLB (0.52) TSHRALDH1A1USP2POLBNFKBIA
SCHEMBL3778132 0.78 TSHR (0.54) TSHRALDH1A1USP2LMNAPOLB
SCHEMBL9818631 0.77 ALDH1A1 (0.66) TSHRALDH1A1USP2LMNAPOLB
SCHEMBL8356728 0.77 TSHR (0.51) TSHRALDH1A1USP2LMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5880066-A COMPOSITION COMPRISING TRIAZOLOPYRIMIDINE SULFONAMIDE HERBICIDE AND OXAZOLIDINE DICHLOROACETAMIDE ANTIDOTE MONSANTO COMPANY (US) 1999-03-09 US claimed
EP-0565593-B1 REDUCING PESTICIDAL INTERACTIONS IN CROPS MONSANTO CO (US) 1999-03-03 EP disclosed
EP-0565593-A1 REDUCING PESTICIDAL INTERACTIONS IN CROPS MONSANTO COMPANY (US) 1993-10-20 EP disclosed
EP-0562015-A1 SAFENED HERBICIDAL SULFONAMIDE COMPOSITIONS MONSANTO COMPANY (US) 1993-09-29 EP disclosed
WO-1992011761-A1 REDUCING PESTICIDAL INTERACTIONS IN CROPS MONSANTO COMPANY (US) 1992-07-23 WO disclosed
WO-1992010098-A1 SAFENED HERBICIDAL SULFONAMIDE COMPOSITIONS MONSANTO COMPANY (US) 1992-06-25 WO disclosed