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Sugi Predict / Compounds / SCHEMBL25791389

SCHEMBL25791389

SCHEMBL25791389

CCCCCCc1ccc(C2(c3ccc(C)cc3)c3cc(/C=C4\C(=O)c5ccccc5C4=C(C#N)C#N)sc3-c3sc(-c4cc(F)c(-c5cc6c(s5)-c5sc(/C=C7\C(=O)c8ccccc8C7=C(C#N)C#N)cc5C6(c5ccc(C)cc5)c5ccc(CCCCCC)cc5)cc4F)cc32)cc1

nearest known ligand 0.31

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ PKM P14618 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ CACNA1B Q00975 1/20 0.31
▸ APBA1 Q02410 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ MGAT2 Q10469 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
SCHEMBL23940377 0.91 KMT2A (0.32) ALDH1A1MAPTPKMHPGDNPSR1
SCHEMBL21795575 0.87 KDM4E (0.31) KDM4EALDH1A1LMNAGAAMAPT
SCHEMBL21949304 0.85 KDM4E (0.31) KDM4EALDH1A1LMNAGAAMAPT
SCHEMBL20043976 0.84 KDM4E (0.30) KDM4EALDH1A1LMNAGAAMAPT
SCHEMBL21851350 0.83 RARB (0.31) —
SCHEMBL20043834 0.83 — —
SCHEMBL19570529 0.82 ALDH1A1 (0.31) KDM4EALDH1A1LMNAGAAMAPT
SCHEMBL20363810 0.81 KDM4E (0.31) KDM4EALDH1A1LMNAGAAMAPT
SCHEMBL21565637 0.80 KDM4E (0.32) KDM4EALDH1A1LMNAGAAMAPT
SCHEMBL23515597 0.78 KMT2A (0.36) ALDH1A1LMNAMAPTPKMHPGD

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-3620458-B1 HETEROCYCLIC COMPOUND AND ORGANIC ELECTRONIC DEVICE COMPRISING SAME LG CHEMICAL LTD (KR) 2023-07-05 — — EP disclosed