SCHEMBL11075282

SCHEMBL11075282

CC(NC(=O)c1ccc(C(=O)Nc2ccccc2)cc1)C(C)(C)C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 2/20 0.57
▸ HDAC2 Q92769 1/20 0.56
▸ HDAC8 Q9BY41 1/20 0.56
▸ HDAC6 Q9UBN7 1/20 0.56
▸ RAB9A P51151 4/20 0.54
▸ NPC1 O15118 3/20 0.54
▸ HTT P42858 3/20 0.54
▸ SMN1; SMN2 Q16637 3/20 0.54
▸ ALDH1A1 P00352 2/20 0.54
▸ KCNK9 Q9NPC2 1/20 0.54
▸ LMNA P02545 1/20 0.54
▸ KMT2A Q03164 3/20 0.53
▸ MEN1 O00255 2/20 0.53
▸ CACNA1B Q00975 1/20 0.53
▸ APBA1 Q02410 1/20 0.53
▸ POLB P06746 2/20 0.51
▸ SIRT1 Q96EB6 1/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ MAPT P10636 2/20 0.50
▸ HPGD P15428 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
SCHEMBL11078859 0.90 HDAC1 (0.59) HDAC2HDAC8HDAC6RAB9ANPC1
SCHEMBL13314540 0.87 ALDH1A1 (0.51) RAB9ANPC1HTTSMN1; SMN2ALDH1A1
SCHEMBL11083276 0.84 ALDH1A1 (0.57) HTTSMN1; SMN2ALDH1A1LMNAKMT2A
SCHEMBL10597627 0.80 SMN1; SMN2 (0.71) RAB9ANPC1SMN1; SMN2ALDH1A1LMNA
SCHEMBL1315526 0.79 PTPN1 (0.87) PTPN1HDAC2HDAC8HDAC6RAB9A
SCHEMBL5694517 0.79 NPC1 (0.71) PTPN1RAB9ANPC1HTTSMN1; SMN2
SCHEMBL11076637 0.79 SMN1; SMN2 (0.55) HDAC2HDAC8HDAC6RAB9ANPC1
SCHEMBL4250752 0.78 KCNK9 (0.81) PTPN1HDAC2HDAC8HDAC6RAB9A
SCHEMBL11083219 0.77 NT5E (0.60) RAB9ANPC1HTTALDH1A1KCNK9
SCHEMBL14715847 0.77 PTPN1 (0.84) PTPN1HDAC2HDAC8HDAC6RAB9A

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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