SCHEMBL9832734

SCHEMBL9832734

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

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.52
ALDH1A1 P00352 5/20 0.49
USP2 O75604 1/20 0.49
LMNA P02545 2/20 0.43
POLB P06746 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.41
MAPT P10636 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TAS2R14 Q9NYV8 1/20 0.39
NPC1 O15118 1/20 0.39
ADRB2 P07550 1/20 0.39

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
SCHEMBL9831463 0.90 TSHR (0.56) TSHRALDH1A1USP2LMNAPOLB
SCHEMBL9831981 0.88 ALDH1A1 (0.52) TSHRALDH1A1USP2LMNAPOLB
SCHEMBL9833388 0.87 TSHR (0.50) TSHRALDH1A1USP2LMNAPOLB
SCHEMBL9834165 0.87 DHODH (0.41) TSHRALDH1A1POLBSMN1; SMN2MEN1
SCHEMBL9832614 0.87 TSHR (0.55) TSHRALDH1A1USP2LMNAPOLB
SCHEMBL9832602 0.87 TSHR (0.57) TSHRALDH1A1USP2LMNAPOLB
SCHEMBL9834364 0.87 TSHR (0.57) TSHRALDH1A1USP2LMNAPOLB
SCHEMBL9832297 0.86 TSHR (0.56) TSHRALDH1A1USP2LMNAPOLB
SCHEMBL9832329 0.85 TSHR (0.55) TSHRALDH1A1USP2LMNAPOLB
SCHEMBL8351725 0.83 TSHR (0.64) 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