SCHEMBL27412509

SCHEMBL27412509

CC[C@@H](Nc1ccc2nnc(C(F)(F)F)n2n1)c1ccc(F)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ CYP1A2 P05177 3/20 0.39
▸ EIF2AK2 P19525 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ MALT1 Q9UDY8 1/20 0.39
▸ CCNT1 O60563 2/20 0.38
▸ CCNA2 P20248 2/20 0.38
▸ CDK2 P24941 2/20 0.38
▸ CDK9 P50750 2/20 0.38
▸ CDK5 Q00535 2/20 0.38
▸ DYRK1A Q13627 2/20 0.38
▸ CDK5R1 Q15078 2/20 0.38
▸ DYRK2 Q92630 2/20 0.38
▸ DYRK1B Q9Y463 2/20 0.38
▸ DYRK3 O43781 1/20 0.38
▸ HTT P42858 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
SCHEMBL31275381 0.87 ALDH1A1 (0.48) LMNAALDH1A1L3MBTL1RAB9AHSD17B10
SCHEMBL27412618 0.78 L3MBTL1 (0.43) LMNAALDH1A1L3MBTL1RAB9AHSD17B10
SCHEMBL27412529 0.75 ALDH1A1 (0.50) LMNAALDH1A1L3MBTL1RAB9AHSD17B10
SCHEMBL27412530 0.74 ALDH1A1 (0.45) LMNAALDH1A1L3MBTL1RAB9AHSD17B10
SCHEMBL27413139 0.74 ALDH1A1 (0.50) LMNAALDH1A1L3MBTL1RAB9AHSD17B10
SCHEMBL27412704 0.72 HDAC6 (0.42) ALDH1A1HSD17B10CYP1A2GAACCNT1
SCHEMBL27413066 0.72 ALDH1A1 (0.48) LMNAALDH1A1L3MBTL1RAB9AHSD17B10
SCHEMBL27412434 0.72 LMNA (0.43) LMNAALDH1A1L3MBTL1RAB9AHSD17B10
SCHEMBL31275281 0.71 LMNA (0.49) LMNAALDH1A1L3MBTL1RAB9AHSD17B10
SCHEMBL31274867 0.70 ALDH1A1 (0.47) LMNAALDH1A1L3MBTL1RAB9AHSD17B10

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
Send feedback