SCHEMBL13046998

SCHEMBL13046998

Cc1ccc(-c2noc(CSc3nnc(-c4ccncc4)n3-c3ccc(O)cc3)n2)cc1

nearest known ligand 0.90

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 2/20 0.90
▸ TP53 P04637 7/20 0.82
▸ LMNA P02545 2/20 0.82
▸ MEN1 O00255 1/20 0.82
▸ ALDH1A1 P00352 1/20 0.82
▸ KMT2A Q03164 1/20 0.82
▸ TNKS2 Q9H2K2 10/20 0.82
▸ MAPT P10636 4/20 0.80
▸ TNKS O95271 4/20 0.80
▸ CYP3A4 P08684 1/20 0.80
▸ CYP2D6 P10635 1/20 0.80
▸ CYP2C9 P11712 1/20 0.80
▸ SULT2A1 Q06520 1/20 0.80
▸ NR5A1 Q13285 1/20 0.80
▸ AXIN2 Q9Y2T1 1/20 0.80
▸ THRB P10828 2/20 0.75
▸ SMN1; SMN2 Q16637 2/20 0.75
▸ HTT P42858 1/20 0.69
▸ USP2 O75604 1/20 0.64
▸ MAPK1 P28482 1/20 0.64

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
SCHEMBL13048271 0.91 TP53 (0.84) NPSR1TP53LMNAMEN1ALDH1A1
SCHEMBL13046997 0.91 NPSR1 (0.74) NPSR1TP53LMNAMEN1ALDH1A1
SCHEMBL11919901 0.90 TP53 (1.00) NPSR1TP53LMNAMEN1ALDH1A1
SCHEMBL11919979 0.89 NPSR1 (0.87) NPSR1TP53LMNAMEN1ALDH1A1
SCHEMBL11919898 0.89 TNKS2 (1.00) NPSR1TP53LMNAMEN1ALDH1A1
SCHEMBL11920016 0.85 TP53 (0.84) NPSR1TP53LMNAMEN1ALDH1A1
SCHEMBL13048272 0.84 TSHR (0.83) NPSR1TP53LMNAMEN1ALDH1A1
SCHEMBL11919905 0.83 NPSR1 (0.77) NPSR1TP53LMNAMEN1ALDH1A1
SCHEMBL13048281 0.83 TP53 (0.69) NPSR1TP53LMNAMEN1ALDH1A1
SCHEMBL11919909 0.82 TP53 (0.84) NPSR1TP53LMNAMEN1ALDH1A1

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-2010139966-A1 AZOLE DERIVATIVES AS WTN PATHWAY INHIBITORS OSLO UNIVERSITY HOSPITAL HF (NO) 2010-12-09 — — WO disclosed
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