SCHEMBL23203467

SCHEMBL23203467

CCc1cc(C(=O)NO)cnc1Cn1ccc2cccnc21

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 1/20 0.46
▸ HDAC6 Q9UBN7 10/20 0.39
▸ HDAC1 Q13547 5/20 0.39
▸ HDAC2 Q92769 2/20 0.39
▸ HDAC10 Q969S8 2/20 0.39
▸ HDAC8 Q9BY41 2/20 0.39
▸ HDAC9 Q9UKV0 2/20 0.39
▸ HDAC4 P56524 3/20 0.39
▸ SLC22A12 Q96S37 5/20 0.38
▸ HDAC3 O15379 1/20 0.36
▸ HDAC7 Q8WUI4 1/20 0.36
▸ HDAC11 Q96DB2 1/20 0.36
▸ HDAC5 Q9UQL6 1/20 0.36
▸ NCOR2 Q9Y618 1/20 0.36
▸ PARP1 P09874 1/20 0.36
▸ KDR P35968 1/20 0.36

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
SCHEMBL23201985 0.86 SLC22A12 (0.44) MTNR1AHDAC6HDAC1HDAC2HDAC10
SCHEMBL23203035 0.78 HDAC1 (0.43) HDAC6HDAC1HDAC2HDAC10HDAC8
SCHEMBL17165055 0.77 HDAC6 (0.64) MTNR1AHDAC6HDAC1HDAC2HDAC10
SCHEMBL23202566 0.69 HDAC6 (0.43) HDAC6HDAC1HDAC2HDAC10HDAC8
SCHEMBL29779623 0.67 HDAC3 (0.41) HDAC6HDAC1HDAC2HDAC8HDAC4
SCHEMBL23167369 0.67 HDAC3 (0.41) HDAC6HDAC1HDAC2HDAC8HDAC4
SCHEMBL23202570 0.67 PTGDR2 (0.44) HDAC6HDAC1HDAC2HDAC10HDAC8
SCHEMBL23201965 0.67 HDAC6 (0.52) HDAC6HDAC1HDAC2HDAC10HDAC8
SCHEMBL18108896 0.66 HDAC6 (0.52) HDAC6HDAC1HDAC2HDAC10HDAC8
SCHEMBL2543931 0.66 MTNR1A (0.55) MTNR1ASLC22A12PARP1

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-2021067859-A1 5-FLUORONICOTINAMIDE DERIVATIVES AND USES THEREOF TENAYA THERAPEUTICS, INC. (US) 2021-04-08 — — WO disclosed
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