SCHEMBL9865614

SCHEMBL9865614

COCc1cc(C)n2nc(S(=O)(=O)Nc3c(C)cccc3Cl)nc2n1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.48
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HTR6 P50406 2/20 0.41
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
MEN1 O00255 1/20 0.34
GLA P06280 1/20 0.34
KMT2A Q03164 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
BCL2 P10415 1/20 0.34
BCL2L1 Q07817 1/20 0.34

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
SCHEMBL9002375 0.84 TSHR (0.60) TSHRUSP2ALDH1A1LMNAPOLB
SCHEMBL9865133 0.84 TSHR (0.48) TSHRUSP2ALDH1A1HTR6LMNA
SCHEMBL10562478 0.83 TSHR (0.34) TSHRKMT2AFFAR4
SCHEMBL9866239 0.82 TSHR (0.42) TSHRUSP2ALDH1A1
SCHEMBL9832562 0.82 TSHR (0.58) TSHRUSP2ALDH1A1LMNAPOLB
SCHEMBL9831332 0.79 ALDH1A1 (0.44) TSHRUSP2ALDH1A1KMT2A
SCHEMBL7910513 0.78 TSHR (0.64) TSHRUSP2ALDH1A1LMNAPOLB
SCHEMBL9869243 0.77 TSHR (0.60) TSHRUSP2ALDH1A1LMNAPOLB
SCHEMBL9833361 0.77 TSHR (0.42) TSHRUSP2ALDH1A1POLBMEN1
SCHEMBL9865416 0.77 TDP1 (0.43) TSHRUSP2ALDH1A1HTR6LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5013351-A Triazolo-pyrimidine-2-sulphonamides useful as herbicides BAYER AKTIENGESELLSCHAFT (DE) 1991-05-07 US disclosed
EP-0268951-A2 Triazolopyrimidine-2-sulphone amides BAYER AG (DE) 1988-06-01 EP disclosed