SCHEMBL9865133

SCHEMBL9865133

COCc1cc(C)nc2nc(S(=O)(=O)Nc3c(C)cccc3Cl)nn12

nearest known ligand 0.48

Predicted protein targets (top 8)

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
ADRA2B P18089 1/20 0.34
GAA P10253 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
SCHEMBL9865364 0.93 TSHR (0.53) TSHRUSP2ALDH1A1HTR6LMNA
SCHEMBL9002375 0.84 TSHR (0.60) TSHRUSP2ALDH1A1LMNAPOLB
SCHEMBL9865614 0.84 TSHR (0.48) TSHRUSP2ALDH1A1HTR6LMNA
SCHEMBL9866239 0.84 TSHR (0.42) TSHRUSP2ALDH1A1
SCHEMBL9832562 0.82 TSHR (0.58) TSHRUSP2ALDH1A1LMNAPOLB
SCHEMBL10664738 0.80 TSHR (0.45) TSHRUSP2ALDH1A1
SCHEMBL10662004 0.79 TSHR (0.56) TSHRUSP2ALDH1A1LMNA
SCHEMBL9865410 0.79 TSHR (0.47) TSHRUSP2ALDH1A1HTR6LMNA
SCHEMBL10416986 0.78 TSHR (0.52) TSHRUSP2ALDH1A1LMNAPOLB
SCHEMBL7910513 0.78 TSHR (0.64) TSHRUSP2ALDH1A1LMNAPOLB

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 claimed
US-5013351-A Triazolo-pyrimidine-2-sulphonamides useful as herbicides BAYER AKTIENGESELLSCHAFT (DE) 1991-05-07 US disclosed