SCHEMBL8517082

SCHEMBL8517082

NCS(=O)(=O)c1ccccc1C(N)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KDM4E B2RXH2 4/20 0.45
ALDH1A1 P00352 4/20 0.45
HPGD P15428 2/20 0.45
HSD17B10 Q99714 2/20 0.45
MAPT P10636 1/20 0.45
CA9 Q16790 5/20 0.44
CA1 P00915 5/20 0.44
CA2 P00918 5/20 0.44
METAP2 P50579 1/20 0.42
F2 P00734 2/20 0.42
PRSS1 P07477 2/20 0.42
PRSS2 P07478 2/20 0.42
PRSS3 P35030 2/20 0.42
BCAT2 O15382 1/20 0.41
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
CA12 O43570 3/20 0.40
CA5A P35218 2/20 0.40

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
SCHEMBL365842 0.85 TSHR (0.47) TSHRSMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL17940345 0.83 TSHR (0.46) TSHRSMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL11336480 0.80 TSHR (0.75) TSHRSMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL1355502 0.80 CA9 (0.46) TSHRSMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL27346903 0.79 KDM4E (0.45) TSHRSMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL14086406 0.79 CA2 (0.68) TSHRKDM4EALDH1A1HSD17B10CA9
SCHEMBL1498169 0.78 KDM4E (0.50) TSHRKDM4EALDH1A1HPGDHSD17B10
SCHEMBL10499129 0.78 KDM4E (0.50) TSHRKDM4EALDH1A1HPGDHSD17B10
SCHEMBL27271173 0.78 KDM4E (0.50) TSHRKDM4EALDH1A1HPGDHSD17B10
SCHEMBL353392 0.78 CA1 (0.63) TSHRKDM4EALDH1A1HPGDHSD17B10

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
EP-0817630-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 1999-01-27 EP disclosed
EP-0817630-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1998-01-14 EP disclosed