SCHEMBL27412704

SCHEMBL27412704

CC[C@@H](Nc1ccc2nnc(C(F)F)n2n1)c1ccc(F)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 2/20 0.42
▸ MET P08581 3/20 0.40
▸ ALDH1A1 P00352 4/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ JAK2 O60674 1/20 0.38
▸ JAK3 P52333 1/20 0.38
▸ PSEN1 P49768 1/20 0.38
▸ PSEN2 P49810 1/20 0.38
▸ APH1B Q8WW43 1/20 0.38
▸ NCSTN Q92542 1/20 0.38
▸ APH1A Q96BI3 1/20 0.38
▸ PSENEN Q9NZ42 1/20 0.38
▸ PIM1 P11309 1/20 0.37
▸ KDM4E B2RXH2 4/20 0.35
▸ HSD17B10 Q99714 3/20 0.35
▸ TSHR P16473 2/20 0.35
▸ HPGD P15428 2/20 0.35

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
SCHEMBL27412703 0.85 MET (0.44) HDAC6METPIM1CYP1A2
SCHEMBL31275381 0.84 ALDH1A1 (0.48) ALDH1A1MEN1POLBGAAKMT2A
SCHEMBL27413299 0.77 MET (0.43) METPIM1CYP1A2MAPK14
SCHEMBL27412690 0.72 MET (0.42) HDAC6METPSEN1PSEN2APH1B
SCHEMBL27412509 0.72 LMNA (0.43) ALDH1A1GAAHSD17B10ALOX15HTT
SCHEMBL8057713 0.70 PSEN1 (0.44) HDAC6ALDH1A1MEN1GAAKMT2A
SCHEMBL27412529 0.69 ALDH1A1 (0.50) ALDH1A1GAAPIM1HSD17B10HTT
SCHEMBL17723351 0.69 PSEN1 (0.43) HDAC6MEN1KMT2AJAK2JAK3
SCHEMBL27412754 0.67 GPR55 (0.44) ALDH1A1GAAPIM1MAPK14
SCHEMBL27413402 0.66 JAK2 (0.38) HDAC6MEN1KMT2AJAK2JAK3

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-2024137968-A1 ANDROGEN RECEPTOR MODULATORS AND METHODS FOR THEIR USE CAPULUS THERAPEUTICS, LLC (US) 2024-06-27 — — WO disclosed
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