SCHEMBL29779591

SCHEMBL29779591

O=C(NO)c1cnc(CNC2(c3ccccc3)CC2)c(F)c1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 20/20 0.55
▸ HDAC3 O15379 18/20 0.55
▸ HDAC1 Q13547 18/20 0.55
▸ HDAC2 Q92769 18/20 0.55
▸ HDAC4 P56524 1/20 0.53
▸ HDAC7 Q8WUI4 1/20 0.53
▸ HDAC10 Q969S8 1/20 0.53
▸ HDAC11 Q96DB2 1/20 0.53
▸ HDAC8 Q9BY41 1/20 0.53
▸ HDAC9 Q9UKV0 1/20 0.53
▸ HDAC5 Q9UQL6 1/20 0.53

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
SCHEMBL23167670 1.00 HDAC6 (0.55) HDAC6HDAC3HDAC1HDAC2HDAC4
SCHEMBL29779612 0.85 VNN1 (0.41) HDAC6HDAC3HDAC1HDAC2HDAC4
SCHEMBL23167429 0.85 VNN1 (0.41) HDAC6HDAC3HDAC1HDAC2HDAC4
SCHEMBL23167384 0.80 HDAC6 (0.76) HDAC6HDAC3HDAC1HDAC2HDAC4
SCHEMBL23203204 0.79 HDAC6 (0.46) HDAC6HDAC3HDAC1HDAC2HDAC4
SCHEMBL23202606 0.73 HDAC6 (0.65) HDAC6HDAC3HDAC1HDAC2HDAC4
SCHEMBL23202801 0.73 HDAC6 (0.56) HDAC6HDAC3HDAC1HDAC2HDAC4
SCHEMBL23202585 0.72 HDAC6 (0.49) HDAC6HDAC3HDAC1HDAC2HDAC4
SCHEMBL4730434 0.71 HDAC3 (1.00) HDAC6HDAC3HDAC1HDAC2HDAC4
SCHEMBL25138289 0.71 HDAC6 (0.47) HDAC6HDAC3HDAC1HDAC2HDAC4

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
EP-4037670-A1 5-FLUORONICOTINAMIDE DERIVATIVES AND USES THEREOF Tenaya Therapeutics, Inc. (US) 2022-08-10 — — EP disclosed
Send feedback