SCHEMBL4591710

SCHEMBL4591710

NC(=O)C(=O)NCCc1cccnc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RECQL P46063 1/20 0.58
▸ HDAC8 Q9BY41 2/20 0.56
▸ HDAC2 Q92769 1/20 0.56
▸ HDAC6 Q9UBN7 1/20 0.56
▸ SMN1; SMN2 Q16637 3/20 0.55
▸ MEN1 O00255 2/20 0.55
▸ NPC1 O15118 2/20 0.55
▸ RAB9A P51151 2/20 0.55
▸ KMT2A Q03164 2/20 0.55
▸ CYP1A2 P05177 2/20 0.54
▸ CYP3A4 P08684 2/20 0.54
▸ CYP2C9 P11712 2/20 0.54
▸ NAPRT Q6XQN6 1/20 0.51
▸ CHRNA7 P36544 1/20 0.50
▸ TBXAS1 P24557 3/20 0.49
▸ FES P07332 1/20 0.49
▸ RET P07949 1/20 0.49
▸ MARK3 P27448 1/20 0.49
▸ TYK2 P29597 1/20 0.49
▸ FLT4 P35916 1/20 0.49

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 0.90 HDAC2 (0.61) RECQLHDAC8HDAC2HDAC6SMN1; SMN2
SCHEMBL2755854 0.87 RECQL (0.71) RECQLHDAC8HDAC2HDAC6SMN1; SMN2
SCHEMBL25784780 0.84 SMN1; SMN2 (0.64) RECQLHDAC8HDAC2HDAC6SMN1; SMN2
SCHEMBL25779421 0.84 RECQL (0.76) RECQLSMN1; SMN2KMT2ACYP1A2CYP3A4
SCHEMBL26936154 0.83 CYP1A2 (0.55) RECQLHDAC8HDAC2HDAC6SMN1; SMN2
SCHEMBL3558312 0.82 MEN1 (0.63) RECQLHDAC8HDAC2HDAC6SMN1; SMN2
SCHEMBL30208757 0.82 MEN1 (0.63) RECQLHDAC8HDAC2HDAC6SMN1; SMN2
SCHEMBL26936166 0.82 HDAC2 (0.53) RECQLHDAC8HDAC2HDAC6SMN1; SMN2
SCHEMBL4462450 0.81 HDAC8 (0.56) RECQLHDAC8HDAC2HDAC6SMN1; SMN2
SCHEMBL23222377 0.81 HDAC2 (0.58) RECQLHDAC8HDAC2HDAC6SMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114272388-A Composite material based on two-dimensional nano carbon sheet and preparation and application thereof 华中科技大学 2022-04-05 — — CN disclosed
EP-1673085-A4 C-MET MODULATORS AND METHODS OF USE EXELIXIS INC (US) 2008-12-10 — — EP disclosed
EP-1673085-A2 C-MET MODULATORS AND METHODS OF USE Exelixis, Inc. (US) 2006-06-28 — — EP disclosed
WO-2005030140-A2 C-MET MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2005-04-07 — — WO disclosed
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