SCHEMBL27285124

SCHEMBL27285124

COC(=O)c1ccc(-c2cc3ccccc3cn2)cc1C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.54
RAB9A P51151 5/20 0.54
SLC6A2 P23975 1/20 0.50
SLC6A4 P31645 1/20 0.50
SLC6A3 Q01959 1/20 0.50
LDHA P00338 1/20 0.46
ALPL P05186 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.42
CASP3 P42574 2/20 0.42
SENP7 Q9BQF6 2/20 0.42
MAPT P10636 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
DHODH Q02127 1/20 0.42
AXL P30530 2/20 0.41
PLA2G2A P14555 2/20 0.41

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
SCHEMBL30930704 1.00 NPC1 (0.54) NPC1RAB9ASLC6A2SLC6A4SLC6A3
SCHEMBL27285125 0.83 NPC1 (0.49) NPC1RAB9ASLC6A2SLC6A4SLC6A3
SCHEMBL30930671 0.82 AXL (0.53) LDHASMN1; SMN2MAPTDHODHAXL
SCHEMBL30930680 0.80 AXL (0.58) NPC1RAB9ASLC6A2SLC6A4SLC6A3
SCHEMBL27284549 0.80 AXL (0.58) NPC1RAB9ASLC6A2SLC6A4SLC6A3
SCHEMBL30930605 0.79 KDM4E (0.53) NPC1RAB9ASLC6A2SLC6A4SLC6A3
SCHEMBL27285080 0.79 KDM4E (0.53) NPC1RAB9ASLC6A2SLC6A4SLC6A3
SCHEMBL20556399 0.77 L3MBTL1 (0.40) NPC1RAB9ASLC6A2SLC6A4SLC6A3
SCHEMBL29492904 0.77 L3MBTL1 (0.40) NPC1RAB9ASLC6A2SLC6A4SLC6A3
SCHEMBL31636734 0.76 LDHA (0.72) NPC1RAB9ALDHASMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024096753-A1 NEK7 DEGRADERS AND METHODS OF USE THEREOF CAPTOR THERAPEUTICS S.A. (PL) 2024-05-10 WO disclosed
WO-2024094819-A1 NEK7 DEGRADERS AND METHODS OF USE THEREOF CAPTOR THERAPEUTICS S.A. (PL) 2024-05-10 WO disclosed
WO-2024094819-A1 NEK7 DEGRADERS AND METHODS OF USE THEREOF CAPTOR THERAPEUTICS S.A. (PL) 2024-05-10 WO disclosed