SCHEMBL2225691

SCHEMBL2225691

C1=C(C2CC2)c2ccccc2SC1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
PTPN1 P18031 2/20 0.33
CHRM2 P08172 2/20 0.33
CHRM4 P08173 2/20 0.33
CHRM5 P08912 2/20 0.33
CHRM1 P11229 2/20 0.33
CHRM3 P20309 2/20 0.33
PTPRC P08575 1/20 0.33
PTPRF P10586 1/20 0.33
CDC25B P30305 1/20 0.33
MEN1 O00255 1/20 0.32
ALOX15 P16050 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL21383160 0.68 MEN1 (0.38) HPGDNPSR1CHRM2CHRM1CHRM3
SCHEMBL6587062 0.68 HPGD (0.37) HPGDNPSR1PTPN1MEN1ALOX15
SCHEMBL28802735 0.68 HPGD (0.41) HPGDNPSR1CHRM2CHRM1MEN1
SCHEMBL18918351 0.68 HPGD (0.37) HPGDNPSR1MEN1ALOX15KMT2A
SCHEMBL31301094 0.68 MEN1 (0.38) HPGDNPSR1CHRM2CHRM1CHRM3
SCHEMBL14114151 0.68 HPGD (0.41) HPGDNPSR1CHRM2CHRM1CHRM3
SCHEMBL11184460 0.68 GPR84 (0.49) HPGDNPSR1MEN1ALOX15KMT2A
SCHEMBL16393502 0.67 HTR6 (0.37) PTPN1CHRM2CHRM4CHRM5CHRM1
SCHEMBL10411956 0.64 HPGD (0.35) HPGDNPSR1
SCHEMBL10721515 0.64 NOTUM (0.45) HPGDNPSR1ALOX15TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011083264-A1 THIOCHROMAN DERIVATIVES, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME LES LABORATOIRES SERVIER (FR) 2011-07-14 WO disclosed