SCHEMBL11604261

SCHEMBL11604261

O=C1c2ccc(Sc3nc4ccccc4s3)cc2C(=O)c2c(Sc3nc4ccccc4s3)ccc(Sc3nc4ccccc4s3)c21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.47
▸ KMT2A Q03164 6/20 0.47
▸ LMNA P02545 4/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ MAPK1 P28482 3/20 0.47
▸ TP53 P04637 3/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ HTT P42858 2/20 0.47
▸ PKM P14618 1/20 0.47
▸ CTSD P07339 4/20 0.45
▸ GAA P10253 4/20 0.45
▸ HPGD P15428 3/20 0.45
▸ NPSR1 Q6W5P4 3/20 0.45
▸ MEN1 O00255 3/20 0.45
▸ TDP1 Q9NUW8 2/20 0.45
▸ HSP90AA1 P07900 1/20 0.45
▸ ALDH1A1 P00352 3/20 0.44
▸ ALOX15 P16050 2/20 0.44
▸ HSD17B10 Q99714 2/20 0.44
▸ FBP1 P09467 2/20 0.44

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
SCHEMBL11602024 0.85 ALDH1A1 (0.56) MAPTKMT2ALMNASMN1; SMN2MAPK1
SCHEMBL11602013 0.85 KMT2A (0.46) MAPTKMT2ALMNASMN1; SMN2MAPK1
SCHEMBL11604385 0.82 MAPT (0.47) MAPTKMT2ALMNASMN1; SMN2MAPK1
SCHEMBL11603753 0.80 MAPT (0.50) MAPTKMT2ALMNASMN1; SMN2MAPK1
SCHEMBL11604251 0.78 MAPT (0.50) MAPTKMT2ALMNASMN1; SMN2MAPK1
SCHEMBL11603104 0.77 GAA (0.47) MAPTKMT2ALMNASMN1; SMN2MAPK1
SCHEMBL11602011 0.76 CTSD (0.47) MAPTKMT2ALMNASMN1; SMN2MAPK1
SCHEMBL11301546 0.73 FBP1 (0.59) MAPTKMT2ALMNASMN1; SMN2MAPK1
SCHEMBL10900048 0.72 KMT2A (0.49) MAPTKMT2ALMNASMN1; SMN2MAPK1
SCHEMBL14351603 0.72 ALDH1A1 (0.53) MAPTKMT2ALMNASMN1; SMN2MAPK1

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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