SCHEMBL24869259

SCHEMBL24869259

Cc1cnc(C(=O)NCC(F)(F)C(F)(F)C(F)(F)F)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CFTR P13569 10/20 0.41
CA2 P00918 1/20 0.36
EGLN1 Q9GZT9 4/20 0.34
EGLN2 Q96KS0 1/20 0.34
VEGFA P15692 2/20 0.34
FLT1 P17948 2/20 0.34
EGLN3 Q9H6Z9 2/20 0.34
SPR P35270 1/20 0.34
HDAC4 P56524 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL30131399 0.76 CA2 (0.40) CA2EGLN2NPC1RAB9AALDH1A1
SCHEMBL22363326 0.74 GAA (0.41) NPC1RAB9AMEN1ALDH1A1KMT2A
SCHEMBL31275373 0.73 LOXL2 (0.40) CFTRMEN1KMT2A
SCHEMBL24869252 0.71 PPARD (0.38) NPC1RAB9AMEN1KMT2A
SCHEMBL13388610 0.70 CFTR (0.39) CFTREGLN1EGLN2VEGFAFLT1
SCHEMBL23580680 0.69 CFTR (0.46) CFTREGLN1EGLN2VEGFAFLT1
SCHEMBL30131356 0.68 EGLN2 (0.41) EGLN2NPC1RAB9AMEN1ALDH1A1
SCHEMBL1105993 0.67 MEN1 (0.43) NPC1RAB9AMEN1ALDH1A1KMT2A
SCHEMBL24661703 0.67 ATM (0.47) NPC1RAB9AMEN1ALDH1A1KMT2A
SCHEMBL19975802 0.66 ALDH1A1 (0.47) RAB9AALDH1A1KMT2A

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-2023279986-A1 SIX-MEMBERED ARYL OR HETEROARYL AMIDES, AND COMPOSITION AND USE THEREOF 贝达药业股份有限公司 2023-01-12 WO disclosed