SCHEMBL30810258

SCHEMBL30810258

NC(=O)c1ccccc1-c1ccc(C(F)(F)F)cn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.54
CCR6 P51684 1/20 0.51
PARP1 P09874 4/20 0.48
BCAT2 O15382 1/20 0.47
ALOX5AP P20292 1/20 0.45
FEN1 P39748 1/20 0.45
RPS6KA3 P51812 1/20 0.43
CSNK1A1 P48729 1/20 0.42
TYRO3 Q06418 1/20 0.42
DYRK1B Q9Y463 1/20 0.42
METAP2 P50579 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
HCRTR1 O43613 1/20 0.41
CASP1 P29466 1/20 0.41
KIF11 P52732 1/20 0.41
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
P2RX7 Q99572 1/20 0.40
TRPV1 Q8NER1 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
SCHEMBL17894102 1.00 KMT2A (0.54) KMT2ACCR6PARP1BCAT2ALOX5AP
SCHEMBL31676875 0.87 RAB9A (0.46) KMT2AALOX5APFEN1RPS6KA3NPC1
SCHEMBL6715032 0.87 RAB9A (0.46) KMT2AALOX5APFEN1RPS6KA3NPC1
SCHEMBL6716514 0.82 SDHB (0.51) RPS6KA3NPC1RAB9AHCRTR1ALDH1A1
SCHEMBL2564888 0.80 BCAT2 (0.65) CCR6PARP1BCAT2CASP1KIF11
SCHEMBL30810367 0.79 ALOX5AP (0.51) CCR6PARP1BCAT2ALOX5APFEN1
SCHEMBL6769661 0.79 PDK2 (0.46) KMT2ARPS6KA3METAP2NPC1
SCHEMBL27906241 0.78 BCAT2 (0.62) CCR6PARP1BCAT2CASP1KIF11
SCHEMBL1968501 0.78 BCAT2 (0.46) CCR6PARP1BCAT2ALOX5APFEN1
SCHEMBL7360342 0.77 BCAT2 (0.51) PARP1BCAT2ALOX5APFEN1CSNK1A1

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