SCHEMBL17318526

SCHEMBL17318526

O=C(Nc1ccc(-c2cc3ccccc3oc2=O)c(Cl)c1)c1cccs1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.63
▸ PTK2B Q14289 1/20 0.63
▸ NPSR1 Q6W5P4 1/20 0.63
▸ MAPT P10636 11/20 0.60
▸ KMT2A Q03164 7/20 0.60
▸ ALDH1A1 P00352 7/20 0.60
▸ MEN1 O00255 6/20 0.60
▸ KDM4E B2RXH2 4/20 0.60
▸ HPGD P15428 3/20 0.60
▸ LMNA P02545 3/20 0.60
▸ TP53 P04637 2/20 0.59
▸ SMN1; SMN2 Q16637 2/20 0.59
▸ NPC1 O15118 2/20 0.55
▸ RAB9A P51151 2/20 0.55
▸ CASP3 P42574 1/20 0.55
▸ SENP8 Q96LD8 1/20 0.55
▸ SENP7 Q9BQF6 1/20 0.55
▸ SENP6 Q9GZR1 1/20 0.55
▸ CYP1A2 P05177 1/20 0.54
▸ CYP3A4 P08684 1/20 0.54

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
SCHEMBL17318518 0.80 POLB (0.64) POLBPTK2BNPSR1MAPTKMT2A
SCHEMBL17318537 0.78 POLB (1.00) POLBPTK2BNPSR1MAPTKMT2A
SCHEMBL13779379 0.77 NPC1 (0.68) POLBNPSR1MAPTKMT2AALDH1A1
SCHEMBL17712427 0.77 KMT2A (0.71) POLBNPSR1MAPTKMT2AALDH1A1
SCHEMBL31231560 0.73 MAPT (0.85) POLBPTK2BNPSR1MAPTKMT2A
SCHEMBL17716806 0.73 ALDH1A1 (0.49) POLBPTK2BMAPTKMT2AALDH1A1
SCHEMBL16383876 0.72 ALDH1A1 (0.68) POLBPTK2BNPSR1MAPTKMT2A
SCHEMBL12316774 0.72 MEN1 (1.00) POLBMAPTKMT2AALDH1A1MEN1
SCHEMBL7117863 0.71 KDM4E (0.60) POLBPTK2BNPSR1MAPTKMT2A
SCHEMBL12443478 0.71 KMT2A (0.72) POLBMAPTKMT2AALDH1A1MEN1

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
Send feedback