SCHEMBL27412530

SCHEMBL27412530

C[C@@H](Nc1ccc2nnc(C(F)(F)F)n2n1)c1cc(F)cc(F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.45
▸ LMNA P02545 1/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ CYP1A2 P05177 2/20 0.42
▸ GAA P10253 1/20 0.41
▸ MALT1 Q9UDY8 1/20 0.41
▸ HTT P42858 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ EIF2AK2 P19525 1/20 0.39
▸ SCN5A Q14524 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ AR P10275 2/20 0.38
▸ KCNH2 Q12809 2/20 0.38
▸ GPR55 Q9Y2T6 1/20 0.38
▸ MAPT P10636 2/20 0.37
▸ TP53 P04637 1/20 0.37
▸ XBP1 P17861 1/20 0.37
▸ HPGD P15428 1/20 0.37

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
SCHEMBL27412434 0.90 LMNA (0.43) ALDH1A1LMNAL3MBTL1HSD17B10RAB9A
SCHEMBL27412529 0.89 ALDH1A1 (0.50) ALDH1A1LMNAL3MBTL1HSD17B10RAB9A
SCHEMBL27413139 0.87 ALDH1A1 (0.50) ALDH1A1LMNAL3MBTL1HSD17B10RAB9A
SCHEMBL31275281 0.84 LMNA (0.49) ALDH1A1LMNAL3MBTL1HSD17B10RAB9A
SCHEMBL27412579 0.83 ALDH1A1 (0.46) ALDH1A1LMNAL3MBTL1HSD17B10RAB9A
SCHEMBL27413066 0.82 ALDH1A1 (0.48) ALDH1A1LMNAL3MBTL1HSD17B10RAB9A
SCHEMBL27412618 0.82 L3MBTL1 (0.43) ALDH1A1LMNAL3MBTL1HSD17B10RAB9A
SCHEMBL27413299 0.81 MET (0.43) CYP1A2GPR55
SCHEMBL31275079 0.81 LMNA (0.43) ALDH1A1LMNAL3MBTL1HSD17B10RAB9A
SCHEMBL27412580 0.81 L3MBTL1 (0.47) ALDH1A1LMNAL3MBTL1HSD17B10RAB9A

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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