SCHEMBL31466288

SCHEMBL31466288

O=C(Nc1nc(C=CC2CCCOC2)cs1)c1cccn1Cc1ccncc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
SCN3A Q9NY46 4/20 0.35
GRM5 P41594 1/20 0.34
SCN5A Q14524 1/20 0.34
SCN9A Q15858 1/20 0.34
POLB P06746 3/20 0.34
HPGD P15428 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34

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
SCHEMBL24435100 1.00 HDAC3 (0.35) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL24434779 0.90 HDAC3 (0.37) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL31466290 0.90 HDAC3 (0.37) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL31466314 0.90 HDAC3 (0.38) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL24434731 0.90 HDAC3 (0.38) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL24434974 0.87 ROCK1 (0.38) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL24435240 0.87 ROCK1 (0.38) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL25371548 0.86 HDAC3 (0.39) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL25373374 0.85 HDAC3 (0.37) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL26187978 0.85 HDAC3 (0.37) HDAC3HDAC4HDAC1HDAC7HDAC2

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-3930849-B1 THIAZOLE DERIVATIVES AS PROTEIN SECRETION INHIBITORS KEZAR LIFE SCIENCES (US) 2025-02-19 EP disclosed