SCHEMBL9338115

SCHEMBL9338115

C=CS(=O)(=O)CCNC(=O)c1cc(N)cc(C(=O)NCCS(=O)(=O)C=C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.36
RAB9A P51151 1/20 0.36
NTRK2 Q16620 1/20 0.36
FABP4 P15090 1/20 0.35
HDAC3 O15379 2/20 0.35
HDAC4 P56524 2/20 0.35
HDAC1 Q13547 2/20 0.35
HDAC7 Q8WUI4 2/20 0.35
HDAC2 Q92769 2/20 0.35
HDAC10 Q969S8 2/20 0.35
HDAC11 Q96DB2 2/20 0.35
HDAC8 Q9BY41 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
HDAC9 Q9UKV0 2/20 0.35
HDAC5 Q9UQL6 2/20 0.35
KDM4E B2RXH2 2/20 0.35
POLB P06746 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
TERT O14746 2/20 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
SCHEMBL1373455 0.86 SMN1; SMN2 (0.46) SMN1; SMN2KDM4EKMT2A
SCHEMBL1373367 0.85 HDAC3 (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL10629117 0.79 MEN1 (0.42) SMN1; SMN2KDM4EKMT2A
SCHEMBL13944864 0.78 MEN1 (0.42) SMN1; SMN2NTRK2FABP4KDM4EPOLB
SCHEMBL9619960 0.78 CA2 (0.42) SMN1; SMN2HDAC3HDAC1CA1CA2
SCHEMBL4622480 0.76 ALDH1A1 (0.41) RAB9AHDAC3HDAC4HDAC1HDAC7
SCHEMBL9337283 0.75 HTT (0.49) SMN1; SMN2RAB9APOLBCA1CA2
SCHEMBL8300376 0.75 TSHR (0.47) SMN1; SMN2RAB9APOLBCA1CA2
SCHEMBL1373453 0.74 SMN1; SMN2 (0.46) SMN1; SMN2RAB9AHDAC3HDAC4HDAC1
SCHEMBL6013184 0.74 RAB9A (0.64) SMN1; SMN2RAB9AKDM4EPOLBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0382111-B1 Copper complex-formazane compounds, process for their preparation and their use as dyestuffs HOECHST AG (DE) 1994-06-08 EP disclosed
US-5023325-A Colorfastness, photostability CIBA-GEIGY CORPORATION (US) 1991-06-11 US disclosed
US-5015731-A For fibers such as wool and cellulose HOECHST AKTIENGESELLSCHAFT (DE) 1991-05-14 US disclosed
US-5003052-A Monoazo fiber reactive dye for cellulose, polyamides, wool, silk, polyurethanes and leather CIBA-GEIGY CORPORATION (US) 1991-03-26 US disclosed
US-4786721-A DYEING OR PRINTING CELLULOSE FIBERS CIBA-GEIGY CORPORATION (US) 1988-11-22 US disclosed
US-4766206-A Reactive dyestuffs comprising a vinylsulfonylalkylaminocarbonyl moiety CIBA-GEIGY CORPORATION (US) 1988-08-23 US disclosed