SCHEMBL30810243

SCHEMBL30810243

NC(=O)c1ccccc1-c1ncc(C(F)(F)F)s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.42
CSNK1A1 P48729 1/20 0.41
TYRO3 Q06418 1/20 0.41
DYRK1B Q9Y463 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
PARP1 P09874 3/20 0.39
ALOX5AP P20292 1/20 0.39
FEN1 P39748 1/20 0.39
PDK2 Q15119 1/20 0.39
KMT2A Q03164 1/20 0.39
CTSA P10619 2/20 0.38
SCD O00767 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
CDC7 O00311 2/20 0.37
CCNE1 P24864 1/20 0.37
CDK2 P24941 1/20 0.37
DBF4 Q9UBU7 1/20 0.37
NUDT1 P36639 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
SCHEMBL1270130 0.78 CTSA (0.50) BCAT2CSNK1A1TYRO3DYRK1BNPC1
SCHEMBL16654167 0.77 BCAT2 (0.42) BCAT2CSNK1A1TYRO3DYRK1BNPC1
SCHEMBL28206771 0.75 BCAT2 (0.56) BCAT2NPC1RAB9APARP1ALOX5AP
SCHEMBL6881271 0.74 SIRT1 (0.47) PARP1KMT2ASCDHDAC1HDAC6
SCHEMBL27801967 0.73 NPC1 (0.48) BCAT2CSNK1A1TYRO3DYRK1BNPC1
SCHEMBL1968034 0.72 HTR2B (0.46) BCAT2CSNK1A1TYRO3DYRK1BNPC1
SCHEMBL30810325 0.72 BCAT2 (0.54) BCAT2CSNK1A1TYRO3DYRK1BNPC1
SCHEMBL30810190 0.71 BCAT2 (0.53) BCAT2CSNK1A1TYRO3DYRK1BPARP1
SCHEMBL21065546 0.70 SCD (0.47) NPC1RAB9APARP1KMT2ASCD
SCHEMBL31341112 0.70 CDC7 (0.45) NPC1RAB9APARP1KMT2ASCD

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
EP-4583870-A2 MITOCHONDRIAL UNCOUPLERS FOR TREATMENT OF METABOLIC DISEASES AND CANCER Mito Biopharma, LLC (US) 2025-07-16 EP disclosed
WO-2024054766-A2 MITOCHONDRIAL UNCOUPLERS FOR TREATMENT OF METABOLIC DISEASES AND CANCER MITO BIOPHARMA, LLC (US) 2024-03-14 WO disclosed