SCHEMBL20656734

SCHEMBL20656734

COc1cc2c(=O)[nH]c(-c3cc(C)c(CNC(C)=O)c(C)c3)nc2nc1OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 5/20 0.39
▸ MTNR1B P49286 5/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ BRD4 O60885 3/20 0.38
▸ HDAC1 Q13547 2/20 0.38
▸ HDAC3 O15379 1/20 0.37
▸ HDAC4 P56524 1/20 0.37
▸ HDAC7 Q8WUI4 1/20 0.37
▸ HDAC2 Q92769 1/20 0.37
▸ HDAC10 Q969S8 1/20 0.37
▸ HDAC11 Q96DB2 1/20 0.37
▸ HDAC8 Q9BY41 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ HDAC9 Q9UKV0 1/20 0.37
▸ HDAC5 Q9UQL6 1/20 0.37
▸ CYP1A1 P04798 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP1B1 Q16678 1/20 0.36
▸ EZH2 Q15910 4/20 0.36

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
SCHEMBL20656732 0.85 BRD4 (0.47) MTNR1AMTNR1BHSD17B10TP53BRD4
SCHEMBL121590 0.82 BRD4 (0.41) MTNR1AMTNR1BHSD17B10TP53BRD4
SCHEMBL30434777 0.82 BRD4 (0.41) MTNR1AMTNR1BHSD17B10TP53BRD4
SCHEMBL30434539 0.78 BRD4 (0.61) BRD4HDAC1HDAC3HDAC4HDAC7
SCHEMBL122813 0.78 BRD4 (0.61) BRD4HDAC1HDAC3HDAC4HDAC7
SCHEMBL121574 0.67 BRD4 (0.51) MTNR1AMTNR1BHSD17B10TP53BRD4
SCHEMBL30435329 0.67 BRD4 (0.51) MTNR1AMTNR1BHSD17B10TP53BRD4
SCHEMBL19194515 0.66 EZH2 (0.53) MTNR1AMTNR1BHSD17B10TP53EZH2
SCHEMBL146515 0.64 GUSB (0.50) BRD4CYP1A1CYP1A2CYP1B1KDM4E
SCHEMBL30434560 0.64 GUSB (0.50) BRD4CYP1A1CYP1A2CYP1B1KDM4E

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-3431086-A1 NOVEL ANTI-INFLAMMATORY AGENTS Resverlogix Corp. (CA) 2019-01-23 — — EP disclosed
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