SCHEMBL27412529

SCHEMBL27412529

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

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.50
▸ GPR55 Q9Y2T6 7/20 0.46
▸ LMNA P02545 1/20 0.44
▸ AR P10275 2/20 0.43
▸ KCNH2 Q12809 2/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ SCN5A Q14524 1/20 0.43
▸ GAA P10253 1/20 0.42
▸ MALT1 Q9UDY8 1/20 0.42
▸ HTT P42858 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ PIM1 P11309 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40

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
SCHEMBL31275281 0.88 LMNA (0.49) ALDH1A1LMNARAB9AHSD17B10L3MBTL1
SCHEMBL31275381 0.85 ALDH1A1 (0.48) ALDH1A1LMNAARKCNH2RAB9A
SCHEMBL31274867 0.84 ALDH1A1 (0.47) ALDH1A1LMNARAB9AHSD17B10L3MBTL1
SCHEMBL31274653 0.81 LMNA (0.59) ALDH1A1GPR55LMNAARKCNH2
SCHEMBL31275079 0.80 LMNA (0.43) ALDH1A1LMNARAB9AHSD17B10L3MBTL1
SCHEMBL31275205 0.79 GPR55 (0.47) GPR55
SCHEMBL31275163 0.78 ALDH1A1 (0.48) ALDH1A1LMNARAB9AHSD17B10L3MBTL1
SCHEMBL31274974 0.76 HTT (0.48) ALDH1A1LMNAARRAB9AHSD17B10
SCHEMBL2268936 0.75 AR (0.63) ALDH1A1LMNAARKCNH2HSD17B10
SCHEMBL31274643 0.75 ALDH1A1 (0.53) ALDH1A1ARKCNH2HSD17B10SCN5A

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