SCHEMBL9832329

SCHEMBL9832329

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

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.55
ALDH1A1 P00352 3/20 0.52
USP2 O75604 1/20 0.52
TDP1 Q9NUW8 1/20 0.46
LMNA P02545 3/20 0.45
POLB P06746 1/20 0.45
MAPT P10636 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
GLA P06280 1/20 0.43
ACLY P53396 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
RXFP1 Q9HBX9 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
SCHEMBL9830358 0.90 TSHR (0.58) TSHRALDH1A1USP2TDP1LMNA
SCHEMBL9834364 0.89 TSHR (0.57) TSHRALDH1A1USP2LMNAPOLB
SCHEMBL7910513 0.89 TSHR (0.64) TSHRALDH1A1USP2LMNAPOLB
SCHEMBL9832614 0.88 TSHR (0.55) TSHRALDH1A1USP2LMNAPOLB
SCHEMBL9832673 0.88 TSHR (0.50) TSHRALDH1A1USP2TDP1LMNA
SCHEMBL9832032 0.88 TSHR (0.50) TSHRALDH1A1USP2TDP1LMNA
SCHEMBL9832778 0.87 ALDH1A1 (0.54) TSHRALDH1A1USP2TDP1LMNA
SCHEMBL9386443 0.86 PDE2A (0.43) TSHRALDH1A1USP2MEN1KMT2A
SCHEMBL9832431 0.86 TSHR (0.52) TSHRALDH1A1USP2TDP1LMNA
SCHEMBL9833575 0.86 ACLY (0.43) TSHRALDH1A1TDP1POLBACLY

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