SCHEMBL11606470

SCHEMBL11606470

O=C1c2c(Sc3nc4cc(Cl)c(Cl)cc4s3)ccc(Sc3nc4cc(Cl)c(Cl)cc4s3)c2C(=O)c2c(Sc3nc4cc(Cl)c(Cl)cc4s3)ccc(Sc3nc4cc(Cl)c(Cl)cc4s3)c21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.41
▸ CTSD P07339 6/20 0.39
▸ MAPT P10636 6/20 0.38
▸ KMT2A Q03164 6/20 0.38
▸ MEN1 O00255 4/20 0.38
▸ ALDH1A1 P00352 4/20 0.38
▸ PKM P14618 3/20 0.38
▸ LMNA P02545 4/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ HTT P42858 2/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ GLB1 P16278 1/20 0.36
▸ CTRC Q99895 1/20 0.36
▸ GAA P10253 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ HPGD P15428 2/20 0.36
▸ THRB P10828 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35

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
SCHEMBL11601529 0.84 SMN1; SMN2 (0.57) SMN1; SMN2NPSR1MAPTKMT2AMEN1
SCHEMBL11605659 0.78 DYRK1A (0.43) SMN1; SMN2NPSR1CTSDMAPTKMT2A
SCHEMBL11603253 0.78 PPARA (0.50) SMN1; SMN2MAPTKMT2AALDH1A1PKM
SCHEMBL11602024 0.77 ALDH1A1 (0.56) SMN1; SMN2NPSR1CTSDMAPTKMT2A
SCHEMBL11605260 0.75 KMT2A (0.58) SMN1; SMN2MAPTKMT2AMEN1ALDH1A1
SCHEMBL11606808 0.75 PKM (0.65) SMN1; SMN2MAPTKMT2AMEN1ALDH1A1
SCHEMBL11603794 0.75 PPARA (0.39) SMN1; SMN2NPSR1CTSDMAPTKMT2A
SCHEMBL11601837 0.75 PPARA (0.45) SMN1; SMN2NPSR1MAPTKMT2AMEN1
SCHEMBL11604954 0.75 SMN1; SMN2 (0.50) SMN1; SMN2MAPTKMT2AMEN1ALDH1A1
SCHEMBL11603724 0.75 ALOX5 (0.47) SMN1; SMN2NPSR1CTSDMAPTKMT2A

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
US-4096111-A (BENZOTHIAZOLYL-THIO)-SUBSTITUTED ANTHRAQUINONES BAYER AKTIENGESELLSCHAFT (DT) 1978-06-20 — — US disclosed
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