SCHEMBL9832614

SCHEMBL9832614

Cc1cc(C)n2nc(S(=O)(=O)Nc3c(F)cccc3C(=O)O)nc2n1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.55
ALDH1A1 P00352 4/20 0.52
USP2 O75604 1/20 0.52
LMNA P02545 2/20 0.45
POLB P06746 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
PKM P14618 1/20 0.44
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NPC1 O15118 1/20 0.41
ADRB2 P07550 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
SCHEMBL9831865 0.90 TSHR (0.58) TSHRALDH1A1USP2LMNAPOLB
SCHEMBL9834364 0.89 TSHR (0.57) TSHRALDH1A1USP2LMNAPOLB
SCHEMBL9831351 0.89 TSHR (0.64) TSHRALDH1A1USP2LMNAPOLB
SCHEMBL9832329 0.88 TSHR (0.55) TSHRALDH1A1USP2LMNAPOLB
SCHEMBL9830824 0.87 ALDH1A1 (0.54) TSHRALDH1A1USP2LMNAPOLB
SCHEMBL9832734 0.87 TSHR (0.52) TSHRALDH1A1USP2LMNAPOLB
SCHEMBL9831244 0.86 TSHR (0.52) TSHRALDH1A1USP2LMNAPOLB
SCHEMBL9832549 0.86 ALDH1A1 (0.40) TSHRALDH1A1POLBSMN1; SMN2PKM
SCHEMBL9832035 0.86 TSHR (0.60) TSHRALDH1A1USP2LMNAPOLB
SCHEMBL9833000 0.84 TSHR (0.58) 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 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