SCHEMBL28377569

SCHEMBL28377569

O=C(NO)c1ccc(Cn2cccc(C(=O)NCCc3ccc4c(c3)OCO4)c2=O)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.58
▸ LMNA P02545 4/20 0.58
▸ TP53 P04637 3/20 0.58
▸ NPC1 O15118 4/20 0.50
▸ RAB9A P51151 4/20 0.50
▸ HDAC1 Q13547 3/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ HDAC2 Q92769 2/20 0.50
▸ THRB P10828 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ NAMPT P43490 1/20 0.50
▸ HTT P42858 1/20 0.48
▸ CNR2 P34972 1/20 0.47
▸ HDAC6 Q9UBN7 2/20 0.47
▸ HDAC3 O15379 1/20 0.46
▸ HDAC4 P56524 1/20 0.46
▸ HDAC7 Q8WUI4 1/20 0.46
▸ HDAC10 Q969S8 1/20 0.46
▸ HDAC11 Q96DB2 1/20 0.46
▸ HDAC8 Q9BY41 1/20 0.46

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
SCHEMBL28380711 0.91 MAPT (0.60) MAPTLMNATP53ALDH1A1KMT2A
SCHEMBL28376729 0.85 MAPT (0.80) MAPTLMNATP53NPC1RAB9A
SCHEMBL28359894 0.82 CNR2 (0.61) LMNANPC1RAB9AHDAC1ALDH1A1
SCHEMBL30448561 0.82 CNR2 (0.61) LMNANPC1RAB9AHDAC1ALDH1A1
SCHEMBL28377299 0.77 HPGD (0.57) MAPTLMNANPC1RAB9AHDAC1
SCHEMBL2408888 0.76 RAB9A (0.77) MAPTLMNANPC1RAB9AHDAC1
SCHEMBL2621633 0.75 MAPT (0.62) MAPTLMNATP53ALDH1A1KMT2A
SCHEMBL28380664 0.75 BRD4 (0.65) MAPTLMNARAB9AHDAC1ALDH1A1
SCHEMBL11717444 0.74 NPC1 (0.76) LMNANPC1RAB9AALDH1A1THRB
SCHEMBL107323 0.74 RAB9A (0.81) MAPTLMNANPC1RAB9AHDAC1

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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