SCHEMBL11079424

SCHEMBL11079424

CC(NC(=O)CCC(=O)Nc1cccnc1)C(C)(C)C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.56
▸ SMN1; SMN2 Q16637 2/20 0.56
▸ POLB P06746 1/20 0.56
▸ EPHX2 P34913 1/20 0.55
▸ HDAC3 O15379 2/20 0.54
▸ HDAC4 P56524 2/20 0.54
▸ HDAC1 Q13547 2/20 0.54
▸ HDAC7 Q8WUI4 2/20 0.54
▸ HDAC2 Q92769 2/20 0.54
▸ HDAC10 Q969S8 2/20 0.54
▸ HDAC11 Q96DB2 2/20 0.54
▸ HDAC8 Q9BY41 2/20 0.54
▸ HDAC6 Q9UBN7 2/20 0.54
▸ HDAC9 Q9UKV0 2/20 0.54
▸ HDAC5 Q9UQL6 2/20 0.54
▸ NOTUM Q6P988 1/20 0.53
▸ PKM P14618 1/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50

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
SCHEMBL11072591 0.83 BCHE (0.58) LMNASMN1; SMN2POLBHDAC3HDAC4
SCHEMBL11078900 0.82 NPC1 (0.60) LMNASMN1; SMN2PKMMEN1KMT2A
SCHEMBL11072102 0.80 ALDH1A1 (0.63) LMNASMN1; SMN2POLBPKMMEN1
SCHEMBL11072104 0.80 ALDH1A1 (0.63) LMNASMN1; SMN2POLBPKMMEN1
SCHEMBL19111004 0.79 EPHX2 (0.70) LMNASMN1; SMN2POLBEPHX2HDAC3
SCHEMBL19176792 0.79 LMNA (0.63) LMNASMN1; SMN2POLBEPHX2HDAC3
SCHEMBL11073535 0.78 TSHR (0.60) LMNASMN1; SMN2POLBPKMMAPK1
SCHEMBL10447927 0.78 FFAR2 (0.47) LMNASMN1; SMN2NOTUMPKMKMT2A
SCHEMBL9456935 0.78 ABCC9 (0.57) PKMKMT2A
SCHEMBL5356584 0.77 SMN1; SMN2 (0.73) LMNASMN1; SMN2POLBEPHX2HDAC3

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-0119428-A2 Biscarboxamides for treating diseases, and process for their preparation BAYER AG (DE) 1984-09-26 — — EP disclosed
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