SCHEMBL31275381

SCHEMBL31275381

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.48
▸ LMNA P02545 1/20 0.45
▸ AR P10275 2/20 0.44
▸ KCNH2 Q12809 2/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ SCN5A Q14524 2/20 0.41
▸ GAA P10253 2/20 0.41
▸ EIF2AK2 P19525 1/20 0.41
▸ MALT1 Q9UDY8 1/20 0.40
▸ DYRK3 O43781 1/20 0.40
▸ CCNT1 O60563 1/20 0.40
▸ CCNA2 P20248 1/20 0.40
▸ CDK2 P24941 1/20 0.40
▸ CDK9 P50750 1/20 0.40
▸ CDK5 Q00535 1/20 0.40
▸ DYRK1A Q13627 1/20 0.40
▸ CDK5R1 Q15078 1/20 0.40
▸ DYRK2 Q92630 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
SCHEMBL27412509 0.87 LMNA (0.43) ALDH1A1LMNAARKCNH2RAB9A
SCHEMBL27412529 0.85 ALDH1A1 (0.50) ALDH1A1LMNAARKCNH2RAB9A
SCHEMBL27412704 0.84 HDAC6 (0.42) ALDH1A1HSD17B10GAADYRK3CCNT1
SCHEMBL27412632 0.79 ALDH1A1 (0.46) ALDH1A1LMNAARKCNH2RAB9A
SCHEMBL27412530 0.77 ALDH1A1 (0.45) ALDH1A1LMNAARKCNH2RAB9A
SCHEMBL27412754 0.76 GPR55 (0.44) ALDH1A1GAAPIM1
SCHEMBL27412434 0.74 LMNA (0.43) ALDH1A1LMNARAB9AHSD17B10L3MBTL1
SCHEMBL27412618 0.74 L3MBTL1 (0.43) ALDH1A1LMNARAB9AHSD17B10L3MBTL1
SCHEMBL31275281 0.73 LMNA (0.49) ALDH1A1LMNARAB9AHSD17B10L3MBTL1
SCHEMBL27413066 0.72 ALDH1A1 (0.48) ALDH1A1LMNARAB9AHSD17B10L3MBTL1

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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