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Sugi Predict / Compounds / SCHEMBL19570529

SCHEMBL19570529

SCHEMBL19570529

CCCCCCc1ccc(C2(c3ccc(CCCCCC)cc3)c3cc4c(cc3-c3sc(-c5ccc(/C=C6\C(=O)c7ccccc7C6=C(C#N)C#N)s5)cc32)C(c2ccc(CCCCCC)cc2)(c2ccc(CCCCCC)cc2)c2cc(-c3ccc(/C=C5\C(=O)c6ccccc6C5=C(C#N)C#N)s3)sc2-4)cc1

nearest known ligand 0.31

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.31
▸ MAPT P10636 2/20 0.31
▸ HPGD P15428 2/20 0.31
▸ NPSR1 Q6W5P4 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ PKM P14618 1/20 0.31
▸ CACNA1B Q00975 1/20 0.31
▸ APBA1 Q02410 1/20 0.31
▸ EGFR P00533 1/20 0.31
▸ RET P07949 1/20 0.31
▸ KDR P35968 1/20 0.31
▸ CTRC Q99895 1/20 0.31
▸ THRB P10828 1/20 0.30
▸ RECQL P46063 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL20043976 0.88 KDM4E (0.30) ALDH1A1MAPTHPGDNPSR1KDM4E
SCHEMBL19570530 0.85 — —
SCHEMBL25735339 0.84 KDM4E (0.31) ALDH1A1MAPTHPGDNPSR1KDM4E
SCHEMBL30114912 0.83 — —
SCHEMBL31356943 0.83 KDM4E (0.31) ALDH1A1MAPTHPGDNPSR1KDM4E
SCHEMBL19570569 0.83 KDM4E (0.31) ALDH1A1MAPTHPGDNPSR1KDM4E
SCHEMBL29362275 0.83 KDM4E (0.31) ALDH1A1MAPTHPGDNPSR1KDM4E
SCHEMBL29883853 0.83 KDM4E (0.31) ALDH1A1MAPTHPGDNPSR1KDM4E
SCHEMBL21795575 0.83 KDM4E (0.31) ALDH1A1MAPTHPGDNPSR1KDM4E
SCHEMBL20044325 0.82 MGAT2 (0.32) ALDH1A1MAPTHPGDNPSR1KDM4E

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
WO-2017191466-A1 ORGANIC TERNARY BLENDS IMPERIAL INNOVATIONS LIMITED (GB) 2017-11-09 — — WO disclosed