SCHEMBL9675548

SCHEMBL9675548

CCc1ccc(C(=S)NCCCSC)cc1N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.40
ALDH1A1 P00352 5/20 0.36
POLB P06746 2/20 0.36
NAMPT P43490 1/20 0.35
GAA P10253 3/20 0.35
HPGD P15428 3/20 0.35
KDM4E B2RXH2 2/20 0.35
HTT P42858 2/20 0.35
THRB P10828 1/20 0.35
GFER P55789 1/20 0.35
PLEC Q15149 1/20 0.35
RAB9A P51151 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 2/20 0.34
TP53 P04637 1/20 0.34
NFKB1 P19838 1/20 0.34
MAPK1 P28482 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL9506095 0.81 ALDH1A1 (0.51) MAPTALDH1A1POLBGAAHPGD
SCHEMBL9502277 0.78 MAPT (0.35) MAPTALDH1A1POLBNAMPTGAA
SCHEMBL9503970 0.78 MAPT (0.35) MAPTALDH1A1POLBNAMPT
SCHEMBL9365117 0.76 MAPT (0.44) MAPTALDH1A1POLBGAAHPGD
SCHEMBL9502962 0.76 CETP (0.42) ALDH1A1GAAHTTRAB9ASMN1; SMN2
SCHEMBL9692777 0.76 ALDH1A1 (0.38) MAPTALDH1A1NAMPTKDM4EHTT
SCHEMBL9692530 0.76 CETP (0.42) ALDH1A1GAAHTTRAB9ASMN1; SMN2
SCHEMBL9502413 0.76 CETP (0.42) ALDH1A1GAAHTTRAB9ASMN1; SMN2
SCHEMBL9505639 0.74 HPGD (0.34) MAPTPOLBNAMPTGAAHPGD
SCHEMBL9503202 0.74 KMT2A (0.36) MAPTALDH1A1HPGDKDM4EHTT

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
EP-0501822-A1 Benzamide derivatives RHONE POULENC RORER LIMITED (GB) 1992-09-02 EP disclosed