SCHEMBL31275281

SCHEMBL31275281

C[C@@H](Nc1ccc2nnc(C(F)(F)F)n2n1)c1ccncc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.49
▸ ALDH1A1 P00352 3/20 0.46
▸ HDAC4 P56524 2/20 0.45
▸ HDAC1 Q13547 2/20 0.45
▸ HDAC6 Q9UBN7 2/20 0.45
▸ MALT1 Q9UDY8 1/20 0.44
▸ HSD17B10 Q99714 2/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ GAA P10253 2/20 0.42
▸ HTT P42858 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ CYP1A2 P05177 2/20 0.40
▸ EIF2AK2 P19525 1/20 0.40
▸ FYN P06241 1/20 0.39
▸ SCN5A Q14524 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ DYRK3 O43781 1/20 0.39
▸ CCNT1 O60563 1/20 0.39
▸ CCNA2 P20248 1/20 0.39

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
SCHEMBL27412529 0.88 ALDH1A1 (0.50) LMNAALDH1A1MALT1HSD17B10L3MBTL1
SCHEMBL31274653 0.86 LMNA (0.59) LMNAALDH1A1MALT1HSD17B10L3MBTL1
SCHEMBL27412530 0.84 ALDH1A1 (0.45) LMNAALDH1A1MALT1HSD17B10L3MBTL1
SCHEMBL27413139 0.83 ALDH1A1 (0.50) LMNAALDH1A1MALT1HSD17B10L3MBTL1
SCHEMBL31274867 0.82 ALDH1A1 (0.47) LMNAALDH1A1HDAC4HDAC1HDAC6
SCHEMBL27412434 0.81 LMNA (0.43) LMNAALDH1A1MALT1HSD17B10L3MBTL1
SCHEMBL27413066 0.81 ALDH1A1 (0.48) LMNAALDH1A1MALT1HSD17B10L3MBTL1
SCHEMBL31275079 0.80 LMNA (0.43) LMNAALDH1A1MALT1HSD17B10L3MBTL1
SCHEMBL27412579 0.79 ALDH1A1 (0.46) LMNAALDH1A1MALT1HSD17B10L3MBTL1
SCHEMBL27412618 0.78 L3MBTL1 (0.43) LMNAALDH1A1MALT1HSD17B10L3MBTL1

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-2024229221-A1 ANDROGEN RECEPTOR MODULATORS AND METHODS FOR THEIR USE CAPULUS THERAPEUTICS, LLC (US) 2024-11-07 — — WO disclosed
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