SCHEMBL10444665

SCHEMBL10444665

CCCCCOc1ccc(Sc2cccc3c2C(=O)c2c(Sc4ccc(OCCCCC)cc4N)cccc2C3=O)c(N)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.44
▸ SLC6A2 P23975 6/20 0.41
▸ SLC6A4 P31645 6/20 0.41
▸ SLC6A3 Q01959 4/20 0.41
▸ MAPT P10636 3/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ ELANE P08246 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ NSD2 O96028 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ PTPN1 P18031 1/20 0.40
▸ PTPN11 Q06124 1/20 0.40
▸ POLB P06746 1/20 0.39
▸ DNMT1 P26358 1/20 0.39

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
SCHEMBL10444727 0.99 TSHR (0.46) TSHRSLC6A2SLC6A4SLC6A3MAPT
SCHEMBL10444816 0.99 TSHR (0.46) TSHRSLC6A2SLC6A4SLC6A3MAPT
SCHEMBL10444419 0.99 TSHR (0.46) TSHRSLC6A2SLC6A4SLC6A3MAPT
SCHEMBL10444418 0.99 TSHR (0.46) TSHRSLC6A2SLC6A4SLC6A3MAPT
SCHEMBL10444673 0.99 TSHR (0.46) TSHRSLC6A2SLC6A4SLC6A3MAPT
SCHEMBL10444615 0.99 TSHR (0.46) TSHRSLC6A2SLC6A4SLC6A3MAPT
SCHEMBL10444802 0.99 TSHR (0.46) TSHRSLC6A2SLC6A4SLC6A3MAPT
SCHEMBL10444795 0.99 TSHR (0.46) TSHRSLC6A2SLC6A4SLC6A3MAPT
SCHEMBL10444628 0.99 TSHR (0.46) TSHRSLC6A2SLC6A4SLC6A3MAPT
SCHEMBL10444801 0.99 TSHR (0.46) TSHRSLC6A2SLC6A4SLC6A3MAPT

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-0371782-A2 Anthraquinone compound, polymerizable dyestuff monomer derived therefrom and resin and color toner composition MITSUI TOATSU CHEMICALS, Inc. (JP) 1990-06-06 — — EP disclosed
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