SCHEMBL11604251

SCHEMBL11604251

O=C1c2c(O)ccc(Sc3nc4ccccc4s3)c2C(=O)c2c(O)ccc(Sc3nc4ccccc4s3)c21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 9/20 0.50
▸ GAA P10253 8/20 0.50
▸ KMT2A Q03164 6/20 0.50
▸ ALDH1A1 P00352 6/20 0.50
▸ LMNA P02545 5/20 0.50
▸ MEN1 O00255 4/20 0.50
▸ MAPK1 P28482 2/20 0.50
▸ NPSR1 Q6W5P4 2/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ ALOX12 P18054 1/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ PKM P14618 1/20 0.50
▸ USP2 O75604 1/20 0.49
▸ POLB P06746 3/20 0.48
▸ GFER P55789 2/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ TP53 P04637 5/20 0.47
▸ HPGD P15428 3/20 0.47
▸ ALOX15 P16050 2/20 0.47
▸ HSD17B10 Q99714 2/20 0.47

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
SCHEMBL11603104 0.93 GAA (0.47) MAPTGAAKMT2AALDH1A1LMNA
SCHEMBL11602024 0.92 ALDH1A1 (0.56) MAPTGAAKMT2AALDH1A1LMNA
SCHEMBL11604385 0.83 MAPT (0.47) MAPTGAAKMT2AALDH1A1LMNA
SCHEMBL11602011 0.79 CTSD (0.47) MAPTGAAKMT2AALDH1A1LMNA
SCHEMBL11071184 0.78 ALDH1A1 (0.58) MAPTGAAKMT2AALDH1A1LMNA
SCHEMBL11604261 0.78 MAPT (0.47) MAPTGAAKMT2AALDH1A1LMNA
SCHEMBL11603753 0.78 MAPT (0.50) MAPTGAAKMT2AALDH1A1LMNA
Bromide SCHEMBL31339526 0.77 ALDH1A1 (0.56) MAPTGAAKMT2AALDH1A1LMNA
SCHEMBL11309247 0.76 GAA (0.56) MAPTGAAKMT2AALDH1A1LMNA
SCHEMBL10900048 0.75 KMT2A (0.49) MAPTGAAKMT2AALDH1A1LMNA

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
Send feedback