SCHEMBL9866239

SCHEMBL9866239

COCc1c(Cl)c(C)nc2nc(S(=O)(=O)Nc3c(C)cccc3Cl)nn12

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.42
ALDH1A1 P00352 2/20 0.35
DCTPP1 Q9H773 1/20 0.35
USP2 O75604 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
CCR4 P51679 2/20 0.34
KDM4E B2RXH2 2/20 0.34
NPC1 O15118 1/20 0.34
RECQL P46063 1/20 0.34
RAB9A P51151 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PKM P14618 1/20 0.33
THRB P10828 1/20 0.33
HIF1A Q16665 1/20 0.32

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
SCHEMBL9865133 0.84 TSHR (0.48) TSHRALDH1A1USP2
SCHEMBL9865614 0.82 TSHR (0.48) TSHRALDH1A1USP2
SCHEMBL9002375 0.78 TSHR (0.60) TSHRALDH1A1USP2PKM
SCHEMBL10562478 0.77 TSHR (0.34) TSHRSMN1; SMN2CCR4
SCHEMBL9866247 0.77 PKM (0.34) TSHRALDH1A1SMN1; SMN2KDM4ENPC1
SCHEMBL9832562 0.76 TSHR (0.58) TSHRALDH1A1USP2KDM4EHSD17B10
SCHEMBL9865364 0.76 TSHR (0.53) TSHRALDH1A1USP2
SCHEMBL10662004 0.75 TSHR (0.56) TSHRALDH1A1USP2CCR4
SCHEMBL9831332 0.74 ALDH1A1 (0.44) TSHRALDH1A1USP2SMN1; SMN2KDM4E
SCHEMBL10664738 0.73 TSHR (0.45) TSHRALDH1A1USP2

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