SCHEMBL17318518

SCHEMBL17318518

O=C(Nc1ccc(-c2cc3ccccc3oc2=O)c(Cl)c1)c1ccco1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 3/20 0.64
▸ NPSR1 Q6W5P4 2/20 0.64
▸ PTK2B Q14289 1/20 0.64
▸ MAPT P10636 9/20 0.64
▸ KMT2A Q03164 8/20 0.64
▸ KDM4E B2RXH2 8/20 0.64
▸ ALDH1A1 P00352 8/20 0.64
▸ MEN1 O00255 7/20 0.64
▸ HPGD P15428 7/20 0.64
▸ LMNA P02545 5/20 0.64
▸ SMN1; SMN2 Q16637 5/20 0.60
▸ TP53 P04637 5/20 0.60
▸ HSD17B10 Q99714 4/20 0.58
▸ CASP1 P29466 2/20 0.58
▸ PLEC Q15149 1/20 0.58
▸ RAB9A P51151 5/20 0.58
▸ NPC1 O15118 4/20 0.58
▸ CASP3 P42574 1/20 0.58
▸ SENP8 Q96LD8 1/20 0.58
▸ SENP7 Q9BQF6 1/20 0.58

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
SCHEMBL17318526 0.80 POLB (0.63) POLBNPSR1PTK2BMAPTKMT2A
SCHEMBL17318537 0.78 POLB (1.00) POLBNPSR1PTK2BMAPTKMT2A
SCHEMBL11528802 0.75 RAB9A (1.00) POLBNPSR1MAPTKMT2AKDM4E
SCHEMBL31231560 0.73 MAPT (0.85) POLBNPSR1PTK2BMAPTKMT2A
SCHEMBL6665885 0.72 MEN1 (0.75) POLBMAPTKMT2AKDM4EALDH1A1
SCHEMBL6669056 0.72 SMN1; SMN2 (0.75) POLBNPSR1MAPTKMT2AKDM4E
SCHEMBL7117863 0.72 KDM4E (0.60) POLBNPSR1PTK2BMAPTKMT2A
SCHEMBL7124845 0.70 MIF (0.70) POLBMAPTKMT2AKDM4EALDH1A1
SCHEMBL23011774 0.70 ALDH1A1 (0.84) POLBNPSR1MAPTKMT2AALDH1A1
SCHEMBL17318552 0.70 MAPT (0.73) POLBNPSR1PTK2BMAPTKMT2A

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
WO-2015187827-A1 NOVEL EFFECTIVE ANTIVIRAL COMPOUNDS AND METHODS USING SAME THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2015-12-10 — — WO disclosed
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