SCHEMBL8358753

SCHEMBL8358753

CSc1cc(C)nc2nc(S(=O)(=O)Nc3ccccc3C(F)(F)F)nn12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
ALDH1A1 P00352 2/20 0.41
USP2 O75604 1/20 0.41
TP53 P04637 2/20 0.41
POLB P06746 2/20 0.41
MAPT P10636 1/20 0.41
KDM1A O60341 1/20 0.41
GAA P10253 1/20 0.40
SLC22A12 Q96S37 1/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
NTSR1 P30989 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL9831471 0.87 TSHR (0.55) TSHRKMT2AMEN1CYP1A2CYP3A4
SCHEMBL10658779 0.86 TSHR (0.48) TSHRKMT2AMEN1CYP1A2CYP3A4
SCHEMBL10416985 0.85 TSHR (0.47) TSHRKMT2AMEN1CYP1A2CYP3A4
SCHEMBL10416987 0.85 TSHR (0.47) TSHRKMT2AMEN1CYP1A2CYP3A4
SCHEMBL9831772 0.81 TSHR (0.52) TSHRKMT2AMEN1CYP1A2CYP3A4
SCHEMBL8356670 0.81 TSHR (0.43) TSHRKMT2AMEN1CYP1A2CYP3A4
SCHEMBL9831797 0.80 KMT2A (0.47) TSHRKMT2AMEN1CYP1A2CYP3A4
SCHEMBL10573010 0.79 TSHR (0.41) TSHRALDH1A1USP2TP53POLB
SCHEMBL8355023 0.78 TSHR (0.48) TSHRALDH1A1USP2TP53POLB
SCHEMBL9832899 0.78 KMT2A (0.49) TSHRKMT2AMEN1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0565593-A1 REDUCING PESTICIDAL INTERACTIONS IN CROPS MONSANTO COMPANY (US) 1993-10-20 EP claimed
EP-0562015-A1 SAFENED HERBICIDAL SULFONAMIDE COMPOSITIONS MONSANTO COMPANY (US) 1993-09-29 EP claimed
WO-1992011761-A1 REDUCING PESTICIDAL INTERACTIONS IN CROPS MONSANTO COMPANY (US) 1992-07-23 WO claimed
WO-1992010098-A1 SAFENED HERBICIDAL SULFONAMIDE COMPOSITIONS MONSANTO COMPANY (US) 1992-06-25 WO claimed
US-4954163-A PRE-AND POSTEMERGENCE HERBICIDES THE DOW CHEMICAL COMPANY (US) 1990-09-04 US claimed
US-4818273-A Substituted 1,2,4-triazolo[1,5-a]pyrimidine-2-sulfonamides, compositions containing them, and their utility as herbicides THE DOW CHEMICAL COMPANY (US) 1989-04-04 US claimed
US-5880066-A COMPOSITION COMPRISING TRIAZOLOPYRIMIDINE SULFONAMIDE HERBICIDE AND OXAZOLIDINE DICHLOROACETAMIDE ANTIDOTE MONSANTO COMPANY (US) 1999-03-09 US disclosed
EP-0565593-B1 REDUCING PESTICIDAL INTERACTIONS IN CROPS MONSANTO CO (US) 1999-03-03 EP disclosed
US-5484760-A AMIDES MONSANTO COMPANY (US) 1996-01-16 US 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
US-4983772-A 2-Methoxy-6-trifluoromethylaniline and 2,6-difluoro-3-methylaniline, intermediates to triazolo/1,5-a/pyrmidine-2-sulfonamide herbicides THE DOW CHEMICAL COMPANY (US) 1991-01-08 US disclosed
US-4954163-A PRE-AND POSTEMERGENCE HERBICIDES THE DOW CHEMICAL COMPANY (US) 1990-09-04 US disclosed
US-4886883-A HERBICIDES THE DOW CHEMICAL COMPANY (US) 1989-12-12 US disclosed
US-4818273-A Substituted 1,2,4-triazolo[1,5-a]pyrimidine-2-sulfonamides, compositions containing them, and their utility as herbicides THE DOW CHEMICAL COMPANY (US) 1989-04-04 US disclosed