SCHEMBL30810367

SCHEMBL30810367

NC(=O)c1ccccc1-c1cnc(C(F)(F)F)cn1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 5/20 0.51
FEN1 P39748 5/20 0.51
BCAT2 O15382 1/20 0.47
PARP1 P09874 2/20 0.42
CSNK1A1 P48729 1/20 0.42
TYRO3 Q06418 1/20 0.42
DYRK1B Q9Y463 1/20 0.42
METAP2 P50579 1/20 0.42
CCR6 P51684 1/20 0.41
HCRTR1 O43613 4/20 0.41
TGFBR1 P36897 1/20 0.40
PDK2 Q15119 1/20 0.40
GRM5 P41594 1/20 0.39
HCRTR2 O43614 2/20 0.39
NUDT1 P36639 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL30810190 0.84 BCAT2 (0.53) ALOX5APFEN1BCAT2PARP1CSNK1A1
Hydrochloric Acid SCHEMBL30810233 0.82 BCAT2 (0.51) ALOX5APFEN1BCAT2PARP1CSNK1A1
SCHEMBL30810258 0.79 KMT2A (0.54) ALOX5APFEN1BCAT2PARP1CSNK1A1
SCHEMBL17894102 0.79 KMT2A (0.54) ALOX5APFEN1BCAT2PARP1CSNK1A1
SCHEMBL2656924 0.77 BCAT2 (0.51) ALOX5APFEN1BCAT2PARP1CSNK1A1
SCHEMBL27684371 0.77 BCAT2 (0.51) ALOX5APFEN1BCAT2PARP1CSNK1A1
Trifluoroacetic Acid SCHEMBL3676572 0.76 BCAT2 (0.47) ALOX5APFEN1BCAT2CSNK1A1TYRO3
SCHEMBL30810325 0.76 BCAT2 (0.54) ALOX5APFEN1BCAT2PARP1CSNK1A1
SCHEMBL28169836 0.75 BCAT2 (0.50) ALOX5APFEN1BCAT2PARP1CSNK1A1
SCHEMBL45147 0.75 BCAT2 (0.53) ALOX5APFEN1BCAT2PARP1CSNK1A1

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