SCHEMBL20176733

SCHEMBL20176733

CCCCCc1ccc(-c2ccc(-c3c4nsnc4c(-c4ccc(-c5ccc(CCCCC)cc5)s4)c4nc5c(nc34)CCCC5)s2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ MAPT P10636 3/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ USP2 O75604 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ HRH3 Q9Y5N1 1/20 0.36
▸ PTPN1 P18031 1/20 0.35
▸ EIF4A1 P60842 1/20 0.35
▸ HSD11B1 P28845 1/20 0.34
▸ RARB P10826 5/20 0.33
▸ TSHR P16473 1/20 0.33
▸ SPHK2 Q9NRA0 4/20 0.33
▸ SPHK1 Q9NYA1 4/20 0.33
▸ RARA P10276 1/20 0.33

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
SCHEMBL20176734 0.89 RARB (0.37) KDM4ERAB9AMEN1KMT2AMAPT
SCHEMBL20176717 0.87 KDM4E (0.41) KDM4ERAB9AMEN1KMT2AMAPT
SCHEMBL18217174 0.87 KDM4E (0.32) KDM4ESMN1; SMN2PTPN1EIF4A1
SCHEMBL20176724 0.86 KDM4E (0.40) KDM4ERAB9AMEN1KMT2AMAPT
SCHEMBL20176727 0.83 RAB9A (0.42) KDM4ERAB9AMEN1KMT2AMAPT
SCHEMBL17694341 0.82 KDM4E (0.43) KDM4ERAB9AMEN1KMT2AMAPT
SCHEMBL20176736 0.81 ALOX15B (0.38) KDM4ERAB9APTPN1EIF4A1HSD11B1
SCHEMBL25451093 0.79 KDM4E (0.40) KDM4ERAB9AMEN1KMT2AMAPT
SCHEMBL16546613 0.79 KDM4E (0.40) KDM4ERAB9AMEN1KMT2AMAPT
SCHEMBL17694344 0.76 RARB (0.38) KDM4ERAB9AMEN1KMT2AMAPT

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-20180142153-A1 THIADIAZOLOQUINOXALINE DERIVATIVES MERCK PATENT GMBH (DE) 2018-05-24 — — US disclosed
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