SCHEMBL9833972

SCHEMBL9833972

Cc1cc(C)n2nc(S(=O)(=O)Nc3c(C)ccc(C)c3C(=O)O)nc2n1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.54
ALDH1A1 P00352 3/20 0.54
USP2 O75604 1/20 0.54
LMNA P02545 2/20 0.47
POLB P06746 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.43
PKM P14618 1/20 0.43
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
GLA P06280 1/20 0.42
NPC1 O15118 1/20 0.42
THRB P10828 1/20 0.41

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
SCHEMBL9831992 0.90 TSHR (0.57) TSHRALDH1A1USP2LMNAPOLB
SCHEMBL9831537 0.87 TSHR (0.52) TSHRALDH1A1USP2LMNAPOLB
SCHEMBL9831934 0.87 TSHR (0.51) TSHRALDH1A1USP2LMNAPOLB
SCHEMBL9833021 0.86 TSHR (0.51) TSHRALDH1A1USP2LMNAPOLB
SCHEMBL9834150 0.86 ALDH1A1 (0.43) TSHRALDH1A1USP2LMNAPOLB
SCHEMBL9831915 0.85 TSHR (0.52) TSHRALDH1A1USP2LMNAPOLB
SCHEMBL9834364 0.85 TSHR (0.57) TSHRALDH1A1USP2LMNAPOLB
SCHEMBL9832114 0.84 TSHR (0.66) TSHRALDH1A1USP2LMNAPOLB
SCHEMBL9832010 0.81 TSHR (0.54) TSHRALDH1A1USP2LMNAPOLB
SCHEMBL9831761 0.81 TSHR (0.35) TSHRALDH1A1USP2POLB

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
EP-0142152-B1 Novel substituted 1,2,4-triazolo- [1,5-a] pyrimidine-2-sulfonamides and compositions and methods of controlling undesired vegetation and suppressing the nitrification of ammonium nitrogen in soil THE DOW CHEMICAL COMPANY (US) 1991-03-20 EP claimed