SCHEMBL23796142

SCHEMBL23796142

CC(CO)NC(=O)c1ccc2c(-c3ccc(C(F)(F)F)cc3)cccc2c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 4/20 0.52
HDAC4 P56524 4/20 0.52
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
NPSR1 Q6W5P4 1/20 0.45
ALOX5AP P20292 2/20 0.45
FEN1 P39748 2/20 0.45
HDAC8 Q9BY41 1/20 0.43
LMNA P02545 1/20 0.43
DGAT2 Q96PD7 2/20 0.42
SCN5A Q14524 2/20 0.41
SCN9A Q15858 2/20 0.41
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
TRPV1 Q8NER1 2/20 0.41
TRPV3 Q8NET8 2/20 0.41
PIN1 Q13526 1/20 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
SCHEMBL23796144 1.00 HDAC6 (0.52) HDAC6HDAC4NPC1RAB9ANPSR1
SCHEMBL23796332 1.00 HDAC6 (0.52) HDAC6HDAC4NPC1RAB9ANPSR1
SCHEMBL23796438 0.92 LMNA (0.47) HDAC6HDAC4NPC1RAB9ANPSR1
SCHEMBL28922738 0.92 LMNA (0.47) HDAC6HDAC4NPC1RAB9ANPSR1
SCHEMBL28624302 0.92 LMNA (0.47) HDAC6HDAC4NPC1RAB9ANPSR1
SCHEMBL23796204 0.92 NPC1 (0.45) HDAC6HDAC4NPC1RAB9ANPSR1
SCHEMBL23796081 0.92 NPC1 (0.45) HDAC6HDAC4NPC1RAB9ANPSR1
SCHEMBL23796082 0.92 NPC1 (0.45) HDAC6HDAC4NPC1RAB9ANPSR1
SCHEMBL23796314 0.91 NPC1 (0.44) HDAC6HDAC4NPC1RAB9ANPSR1
SCHEMBL23795905 0.90 NPSR1 (0.57) HDAC6HDAC4NPSR1HDAC8SCN5A

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
CN-117835978-A Pharmaceutical combinations comprising TEAD inhibitors and their use for cancer treatment 诺华股份有限公司 2024-04-05 CN disclosed
EP-3877356-A1 BICYCLIC COMPOUNDS Vivace Therapeutics, Inc. (US) 2021-09-15 EP disclosed
CN-113302175-A Bicyclic compounds 维瓦斯治疗公司 2021-08-24 CN disclosed