SCHEMBL13049096

SCHEMBL13049096

Cc1ccc(-c2noc(C3(Sc4nnc(-c5ccncc5)n4-c4ccc(O)cc4)CC3)n2)cc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.57
TP53 P04637 7/20 0.53
LMNA P02545 2/20 0.53
MEN1 O00255 1/20 0.53
ALDH1A1 P00352 1/20 0.53
KMT2A Q03164 1/20 0.53
TNKS2 Q9H2K2 9/20 0.52
MAPT P10636 4/20 0.51
TNKS O95271 4/20 0.51
CYP3A4 P08684 2/20 0.51
CYP2D6 P10635 2/20 0.51
CYP2C9 P11712 2/20 0.51
SULT2A1 Q06520 1/20 0.51
NR5A1 Q13285 1/20 0.51
AXIN2 Q9Y2T1 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.47
THRB P10828 2/20 0.47
HTT P42858 2/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL13047151 0.96 NPSR1 (0.55) NPSR1TP53LMNAMEN1ALDH1A1
SCHEMBL11919951 0.89 TNKS2 (0.66) NPSR1TP53LMNAMEN1ALDH1A1
SCHEMBL11919953 0.86 TNKS2 (0.64) NPSR1TP53LMNAMEN1ALDH1A1
SCHEMBL11919952 0.86 TNKS2 (0.64) NPSR1TP53LMNAMEN1ALDH1A1
SCHEMBL11919938 0.84 TNKS2 (0.48) NPSR1TP53LMNAMEN1ALDH1A1
SCHEMBL11919940 0.80 TNKS2 (0.47) NPSR1TP53LMNAMEN1ALDH1A1
SCHEMBL11919941 0.80 TNKS2 (0.47) NPSR1TP53LMNAMEN1ALDH1A1
SCHEMBL13049102 0.80 NPSR1 (0.59) NPSR1TP53LMNAMEN1ALDH1A1
SCHEMBL13049099 0.79 NPSR1 (0.37) NPSR1TP53LMNAMEN1ALDH1A1
SCHEMBL11919960 0.79 TNKS2 (0.45) 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