SCHEMBL22493240

SCHEMBL22493240

CC(C)(C)NCCc1ccncc1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ LATS1 O95835 1/20 0.39
▸ SLC22A12 Q96S37 2/20 0.35
▸ HRH4 Q9H3N8 2/20 0.35
▸ HRH3 Q9Y5N1 2/20 0.35
▸ SSTR4 P31391 3/20 0.33
▸ AOC1 P19801 2/20 0.33
▸ AOC3 Q16853 2/20 0.33
▸ LIMK1 P53667 1/20 0.32
▸ LOXL2 Q9Y4K0 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ ADRB2 P07550 1/20 0.31
▸ CD38 P28907 1/20 0.31
▸ CYP17A1 P05093 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31

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
SCHEMBL22493354 0.79 HRH4 (0.37) LATS1HRH4HRH3AOC1AOC3
SCHEMBL17981864 0.79 LATS1 (0.33) LATS1SLC22A12SSTR4AOC1AOC3
SCHEMBL17981868 0.79 LATS1 (0.33) LATS1SLC22A12SSTR4AOC1AOC3
SCHEMBL21503642 0.78 CYP2E1 (0.44) LATS1SLC22A12AOC1AOC3LIMK1
SCHEMBL17981893 0.75 LOXL2 (0.48) AOC1AOC3LOXL2CYP2D6
SCHEMBL805511 0.74 ALDH1A1 (0.45) LATS1SLC22A12AOC1AOC3LOXL2
SCHEMBL28201588 0.74 CACNA1H (0.37) LATS1SLC22A12SSTR4LOXL2ALDH1A1
SCHEMBL19997562 0.73 TDP1 (0.44) —
SCHEMBL17318488 0.72 SCN9A (0.40) LATS1AOC1AOC3LOXL2ALDH1A1
SCHEMBL18986509 0.71 LOXL2 (0.57) AOC1AOC3LOXL2CYP2D6

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024137506-A1 COMPOSITIONS AND METHODS FOR IMPROVING NEUROLOGICAL DISEASES AND DISORDERS CURASEN THERAPEUTICS, INC. (US) 2024-06-27 — — WO disclosed
WO-2023225021-A1 COMPOSITIONS AND METHODS FOR TREATING PATIENTS WITH AMYOTROPHIC LATERAL SCLEROSIS (ALS) CURASEN THERAPEUTICS, INC. (US) 2023-11-23 — — WO disclosed
WO-2020198466-A9 BETA ADRENERGIC AGONIST AND METHODS OF USING THE SAME CURASEN THERAPEUTICS, INC. (US) 2020-12-30 — — WO disclosed
WO-2020198466-A1 BETA ADRENERGIC AGONIST AND METHODS OF USING THE SAME CURASEN THERAPEUTICS, INC. (US) 2020-10-01 — — WO disclosed
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