SCHEMBL28887376

SCHEMBL28887376

COc1ccccc1NC(=O)c1cccn(Cc2ccc(C(=O)NO)cc2)c1=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.62
▸ HDAC1 Q13547 4/20 0.56
▸ HDAC6 Q9UBN7 4/20 0.56
▸ HDAC11 Q96DB2 1/20 0.56
▸ POLB P06746 3/20 0.56
▸ RXFP1 Q9HBX9 2/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ RAB9A P51151 1/20 0.53
▸ MEN1 O00255 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ HTT P42858 1/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.53
▸ PTGER3 P43115 1/20 0.52
▸ BRD4 O60885 1/20 0.51
▸ BRD2 P25440 1/20 0.51
▸ BRD3 Q15059 1/20 0.51
▸ BRDT Q58F21 1/20 0.51
▸ HDAC8 Q9BY41 2/20 0.51
▸ TP53 P04637 1/20 0.50
▸ ITGB1 P05556 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
SCHEMBL28377022 0.82 RAB9A (0.65) MAPTHDAC1HDAC6HDAC11POLB
SCHEMBL28377747 0.82 MAPT (0.67) MAPTHDAC1HDAC6POLBRXFP1
SCHEMBL28380865 0.82 MAPT (0.79) MAPTHDAC6POLBRXFP1SMN1; SMN2
SCHEMBL28377311 0.78 HDAC1 (0.56) MAPTHDAC1HDAC6HDAC11POLB
SCHEMBL28383667 0.78 ALDH1A1 (0.52) MAPTHDAC1HDAC6HDAC11POLB
SCHEMBL28381789 0.78 RXFP1 (0.65) MAPTPOLBRXFP1SMN1; SMN2RAB9A
SCHEMBL28377019 0.78 POLB (0.65) MAPTPOLBRXFP1SMN1; SMN2RAB9A
SCHEMBL28381515 0.77 KDM4E (0.58) MAPTHDAC1HDAC6HDAC11POLB
SCHEMBL28377067 0.77 POLB (0.62) MAPTHDAC1HDAC6HDAC11POLB
SCHEMBL28380664 0.76 BRD4 (0.65) MAPTHDAC1HDAC6HDAC11POLB

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
CN-110938055-A Six-membered ring formamide compound and synthesis method and application thereof 华东师范大学 2020-03-31 — — CN claimed
CN-110938055-A Six-membered ring formamide compound and synthesis method and application thereof 华东师范大学 2020-03-31 — — CN disclosed
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