SCHEMBL24323007

SCHEMBL24323007

C=C(CC)C(=O)NCCc1cccnc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC2 Q92769 1/20 0.51
▸ HDAC8 Q9BY41 1/20 0.51
▸ HDAC6 Q9UBN7 1/20 0.51
▸ KMT2A Q03164 4/20 0.50
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ NPC1 O15118 2/20 0.50
▸ RAB9A P51151 2/20 0.50
▸ PKM P14618 1/20 0.47
▸ NAPRT Q6XQN6 1/20 0.46
▸ RECQL P46063 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ PIK3CA P42336 1/20 0.45
▸ FES P07332 1/20 0.45
▸ RET P07949 1/20 0.45
▸ MARK3 P27448 1/20 0.45

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
SCHEMBL25784651 0.85 HDAC2 (0.61) HDAC2HDAC8HDAC6KMT2ASMN1; SMN2
SCHEMBL12313357 0.82 HDAC2 (0.56) HDAC2HDAC8HDAC6KMT2ASMN1; SMN2
SCHEMBL26936154 0.81 CYP1A2 (0.55) HDAC2HDAC8HDAC6KMT2ASMN1; SMN2
SCHEMBL26936166 0.80 HDAC2 (0.53) HDAC2HDAC8HDAC6KMT2ASMN1; SMN2
SCHEMBL4591710 0.80 RECQL (0.58) HDAC2HDAC8HDAC6KMT2ASMN1; SMN2
SCHEMBL25784780 0.80 SMN1; SMN2 (0.64) HDAC2HDAC8HDAC6KMT2ASMN1; SMN2
SCHEMBL428550 0.79 HDAC8 (0.58) HDAC2HDAC8HDAC6KMT2ASMN1; SMN2
SCHEMBL48869 0.79 POLB (0.60) HDAC2HDAC8HDAC6KMT2ASMN1; SMN2
SCHEMBL3558312 0.77 MEN1 (0.63) HDAC2HDAC8HDAC6KMT2ASMN1; SMN2
SCHEMBL30208757 0.77 MEN1 (0.63) HDAC2HDAC8HDAC6KMT2ASMN1; SMN2

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-3452453-B1 MODULATORS OF THE INTEGRATED STRESS PATHWAY CALICO LIFE SCIENCES LLC (US) 2022-04-13 — — EP disclosed
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