SCHEMBL28082030

SCHEMBL28082030

COc1ccc(CCNC(=O)c2cc3cc([N+](=O)[O-])ccc3[nH]2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.67
▸ KDM4E B2RXH2 4/20 0.67
▸ RAB9A P51151 3/20 0.67
▸ NPC1 O15118 2/20 0.67
▸ ALDH1A1 P00352 4/20 0.56
▸ KMT2A Q03164 3/20 0.54
▸ MEN1 O00255 2/20 0.54
▸ PKM P14618 1/20 0.54
▸ CNR1 P21554 3/20 0.52
▸ HDAC3 O15379 1/20 0.51
▸ HDAC4 P56524 1/20 0.51
▸ HDAC1 Q13547 1/20 0.51
▸ HDAC7 Q8WUI4 1/20 0.51
▸ HDAC2 Q92769 1/20 0.51
▸ HDAC10 Q969S8 1/20 0.51
▸ HDAC11 Q96DB2 1/20 0.51
▸ HDAC8 Q9BY41 1/20 0.51
▸ HDAC6 Q9UBN7 1/20 0.51
▸ HDAC9 Q9UKV0 1/20 0.51
▸ HDAC5 Q9UQL6 1/20 0.51

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
SCHEMBL28082036 0.86 NPC1 (0.64) MAPTKDM4ERAB9ANPC1ALDH1A1
SCHEMBL28081972 0.83 KDM4E (0.72) MAPTKDM4ERAB9ANPC1ALDH1A1
SCHEMBL28081980 0.82 TP53 (0.69) MAPTKDM4ERAB9ANPC1ALDH1A1
SCHEMBL1415543 0.81 POLB (0.58) MAPTKDM4EALDH1A1HDAC3HDAC1
SCHEMBL27908704 0.81 PLCG2 (0.61) MAPTKDM4ERAB9ANPC1ALDH1A1
SCHEMBL28788142 0.80 KDM4E (0.52) MAPTKDM4EALDH1A1HDAC3HDAC4
SCHEMBL10064737 0.78 HRH4 (0.49) MAPTKDM4ERAB9ANPC1ALDH1A1
SCHEMBL28082017 0.76 TP53 (0.50) MAPTKDM4ERAB9ANPC1ALDH1A1
SCHEMBL28081990 0.75 KDM4E (0.63) MAPTKDM4ERAB9ANPC1KMT2A
SCHEMBL12501305 0.75 HRH4 (0.58) MAPTKDM4EALDH1A1KMT2AMEN1

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-105820104-B A kind of indoles -2- amides compound with anti-inflammatory effect and its application in preparing anti-inflammatory drugs 温州医科大学 2018-12-11 — — CN disclosed
CN-105820104-A Indole-2-acetamide compound with anti-inflammatory effect, and application thereof in preparation of anti-inflammatory drugs 温州医科大学 2016-08-03 — — CN disclosed
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