SCHEMBL9865016

SCHEMBL9865016

C[S+]([O-])c1sc(C#N)c(-c2ccc(Cl)cc2)c1C#N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 3/20 0.39
FNTB P49356 3/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 5/20 0.38
MAPT P10636 3/20 0.38
HTT P42858 2/20 0.38
LMNA P02545 2/20 0.38
HSD17B10 Q99714 2/20 0.38
MEN1 O00255 1/20 0.38
ALOX15 P16050 1/20 0.38
MAPK1 P28482 1/20 0.38
ALDH1A1 P00352 4/20 0.36
HPGD P15428 3/20 0.36
NPSR1 Q6W5P4 3/20 0.36
RXFP1 Q9HBX9 3/20 0.36
USP2 O75604 1/20 0.36
THRB P10828 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
BRAF P15056 1/20 0.34
IDO1 P14902 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
SCHEMBL9865467 0.81 FNTA (0.39) FNTAFNTBKMT2AKDM4EMAPT
SCHEMBL9865673 0.80 FNTA (0.48) FNTAFNTBKMT2AMAPTALDH1A1
SCHEMBL27275585 0.80 ADORA1 (0.36)
SCHEMBL9865724 0.75 MEN1 (0.32) KMT2AMAPTMEN1MAPK1ALDH1A1
SCHEMBL10654927 0.74 KDM4E (0.40) FNTAFNTBKMT2AKDM4EMAPT
SCHEMBL27275583 0.73 MAPT (0.43) KMT2AKDM4EMAPTHTTHSD17B10
SCHEMBL9865156 0.70 ALDH1A1 (0.43) KDM4EHTTLMNAHSD17B10ALOX15
SCHEMBL9865163 0.68 MAPT (0.40) FNTAFNTBKMT2AKDM4EMAPT
SCHEMBL13991798 0.67 ALDH1A1 (0.47) FNTAFNTBKMT2AKDM4EMAPT
SCHEMBL3138051 0.65 GRIA4 (0.65) FNTAFNTBKMT2APIK3CAGRIA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1017243-B THIO COMPOUNDS HAVING FUNGICIDAL ACTIVITY DUPHAR INT RES (NL) 1992-07-01 CN disclosed
US-4994485-A Seed and soil fungi, bacteria DUPHAR INTERNATIONAL RESEARCH B.V. (NL) 1991-02-19 US disclosed
EP-0234622-B1 NEW THIO COMPOUNDS HAVING FUNGICIDAL ACTIVITY DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1990-06-27 EP disclosed
CN-87101917-A Has the active novel sulfurized compound of antifungal 1988-01-06 CN disclosed