SCHEMBL27412632

SCHEMBL27412632

Fc1ccc([C@H](Nc2ccc3nnc(C(F)(F)F)n3n2)C2CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.46
▸ MALT1 Q9UDY8 1/20 0.46
▸ PIM1 P11309 3/20 0.45
▸ AR P10275 2/20 0.43
▸ KCNH2 Q12809 2/20 0.43
▸ LMNA P02545 1/20 0.41
▸ HSD17B10 Q99714 2/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ SCN5A Q14524 2/20 0.40
▸ GAA P10253 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ TP53 P04637 1/20 0.38
▸ EIF2AK2 P19525 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ CYP1A2 P05177 1/20 0.36

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
SCHEMBL31275381 0.79 ALDH1A1 (0.48) ALDH1A1MALT1PIM1ARKCNH2
SCHEMBL31275281 0.69 LMNA (0.49) ALDH1A1MALT1LMNAHSD17B10RAB9A
SCHEMBL31274643 0.67 ALDH1A1 (0.53) ALDH1A1ARKCNH2HSD17B10HTT
SCHEMBL31275023 0.67 ALDH1A1 (0.63) ALDH1A1ARKCNH2HSD17B10L3MBTL1
SCHEMBL31274867 0.67 ALDH1A1 (0.47) ALDH1A1MALT1LMNAHSD17B10RAB9A
SCHEMBL31274653 0.66 LMNA (0.59) ALDH1A1MALT1ARKCNH2LMNA
SCHEMBL2268936 0.65 AR (0.63) ALDH1A1PIM1ARKCNH2LMNA
SCHEMBL31275079 0.65 LMNA (0.43) ALDH1A1MALT1LMNAHSD17B10RAB9A
SCHEMBL31529506 0.65 ALDH1A1 (0.46) ALDH1A1ARKCNH2LMNAHSD17B10
SCHEMBL31274974 0.64 HTT (0.48) ALDH1A1MALT1PIM1ARLMNA

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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