SCHEMBL9876336

SCHEMBL9876336

CCOC(c1ccccc1)(c1ccccc1)c1ncn(S(=O)(=O)N(C)C)c1C

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.42
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.33
HDAC6 Q9UBN7 3/20 0.33
TK1 P04183 2/20 0.32
NPC1 O15118 1/20 0.31
CHRM2 P08172 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
TK2 O00142 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
NPSR1 Q6W5P4 1/20 0.30
HSD11B1 P28845 1/20 0.30

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
SCHEMBL2350021 0.66 KIF11 (0.56) HDAC6TK1TK2
SCHEMBL22075818 0.65 KDM4E (0.53) TSHRKDM4EGAASMN1; SMN2MEN1
SCHEMBL9876235 0.65 HRH4 (0.37) KDM4EHDAC6TK1TK2
SCHEMBL1315 0.64 KDM4E (0.42) TSHRKDM4EGAASMN1; SMN2
SCHEMBL993 0.62 KDM4E (0.46) TSHRKDM4EGAASMN1; SMN2MEN1
SCHEMBL19543320 0.62 KIF11 (0.47) HDAC6TK1MEN1KMT2ATK2
SCHEMBL7267947 0.60 KDM4E (0.47) TSHRKDM4EGAASMN1; SMN2MEN1
SCHEMBL17753678 0.60 GAA (0.59) TSHRKDM4EGAASMN1; SMN2KMT2A
SCHEMBL4058230 0.60 TAAR1 (0.48) SMN1; SMN2
SCHEMBL5962153 0.59 KCNN4 (0.40) CHRM2CYP3A4CYP2D6

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-5045557-A Imidazable fungicides and use thereof SCHERING AGROCHEMICALS LTD. (GB) 1991-09-03 US disclosed
EP-0284277-A1 Cyanoimidazole fungicides AgrEvo UK Limited (GB) 1988-09-28 EP disclosed