SCHEMBL28376729

SCHEMBL28376729

O=C(NO)c1ccc(Cn2cccc(C(=O)Nc3ccc4c(c3)OCO4)c2=O)cc1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 12/20 0.80
▸ LMNA P02545 4/20 0.80
▸ TP53 P04637 5/20 0.79
▸ NPC1 O15118 6/20 0.55
▸ USP2 O75604 1/20 0.55
▸ MAPK1 P28482 1/20 0.55
▸ RAB9A P51151 7/20 0.54
▸ POLB P06746 1/20 0.54
▸ RXFP1 Q9HBX9 1/20 0.54
▸ SMN1; SMN2 Q16637 4/20 0.53
▸ HDAC1 Q13547 1/20 0.52
▸ HDAC2 Q92769 1/20 0.52
▸ CYP1A2 P05177 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ HPGD P15428 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ PKM P14618 1/20 0.49
▸ NFKB1 P19838 1/20 0.49
▸ NFKB2 Q00653 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
SCHEMBL28380711 0.86 MAPT (0.60) MAPTLMNATP53MAPK1POLB
SCHEMBL28377569 0.85 MAPT (0.58) MAPTLMNATP53NPC1RAB9A
SCHEMBL28377019 0.81 POLB (0.65) MAPTLMNATP53NPC1RAB9A
SCHEMBL28381789 0.81 RXFP1 (0.65) MAPTLMNATP53NPC1RAB9A
SCHEMBL28380865 0.81 MAPT (0.79) MAPTLMNATP53RAB9APOLB
SCHEMBL28360016 0.81 HDAC6 (0.56) MAPTLMNATP53NPC1USP2
SCHEMBL30448570 0.81 HDAC6 (0.56) MAPTLMNATP53NPC1USP2
SCHEMBL28377067 0.79 POLB (0.62) MAPTLMNATP53RAB9APOLB
SCHEMBL28360026 0.79 NPC1 (0.57) MAPTLMNATP53NPC1USP2
SCHEMBL30448260 0.79 HDAC8 (0.58) MAPTLMNATP53NPC1USP2

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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