SCHEMBL9756902

SCHEMBL9756902

O=C(O)C=Cc1ncccc1Cl

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 19/20 0.53
HDAC3 O15379 1/20 0.42
TNKS O95271 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HCAR2 Q8TDS4 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
TNKS2 Q9H2K2 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42

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
SCHEMBL9756900 1.00 NFE2L2 (0.53) NFE2L2HDAC3TNKSHDAC4HDAC1
SCHEMBL4912952 0.80 NFE2L2 (0.48) NFE2L2
SCHEMBL7812489 0.79 HDAC3 (0.42) HDAC3TNKSHDAC4HDAC1HCAR2
SCHEMBL3539217 0.79 RRM1 (0.43) HDAC3TNKSHDAC4HDAC1HCAR2
SCHEMBL7812493 0.79 HDAC3 (0.42) HDAC3TNKSHDAC4HDAC1HCAR2
SCHEMBL3539220 0.79 RRM1 (0.43) HDAC3TNKSHDAC4HDAC1HCAR2
SCHEMBL13238934 0.77 L3MBTL1 (0.48) NFE2L2
SCHEMBL13265131 0.77 L3MBTL1 (0.48) NFE2L2
SCHEMBL7040472 0.76 CA1 (0.43) HDAC3TNKSHDAC4HDAC1HCAR2
SCHEMBL9756997 0.75 LMNA (0.50) NFE2L2HDAC3TNKSHDAC4HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5039684-A Absorption when administered orally VALEAS S. P. A. (IT) 1991-08-13 US disclosed
EP-0384450-A1 Tetrazole amide derivatives of heterocyclic alkenyl acids and their use as antiallergic substances VALEAS S.p.A. INDUSTRIA CHIMICA E FARMACEUTICA (IT) 1990-08-29 EP disclosed