SCHEMBL44675

SCHEMBL44675

Cc1cn2cc(-c3cccc(CNC(=O)c4cccc([N+](=O)[O-])c4)c3)nc2s1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.53
MAPT P10636 5/20 0.53
LMNA P02545 4/20 0.53
HPGD P15428 4/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
GAA P10253 2/20 0.52
GLA P06280 1/20 0.52
KDM4E B2RXH2 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
WDR5 P61964 3/20 0.48
ACKR3 P25106 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.45
ALOX5 P09917 1/20 0.45

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
SCHEMBL13844857 0.85 WDR5 (0.51) WDR5
SCHEMBL44645 0.85 WDR5 (0.51) MAPTLMNAHPGDMEN1KMT2A
SCHEMBL45795 0.82 CHRM3 (0.49) MAPTLMNAGAAKDM4EWDR5
SCHEMBL44398 0.80 CHRM3 (0.52) WDR5
SCHEMBL44862 0.79 GAA (0.47) ALDH1A1MAPTLMNAHPGDGAA
SCHEMBL44653 0.78 ALDH1A1 (0.54) ALDH1A1MAPTLMNAHPGDMEN1
SCHEMBL45277 0.77 TP53 (0.49) ALDH1A1MAPTLMNAHPGDMEN1
SCHEMBL44495 0.76 WDR5 (0.55) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL38543 0.76 WDR5 (0.45) MAPTHPGDGAAWDR5CYP1A2
SCHEMBL44054 0.76 MAPT (0.53) MAPTLMNAKMT2AKDM4ESMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011137587-A1 CYTOKINE INHIBITORS HUTCHISON MEDIPHARMA LIMITED (CN) 2011-11-10 WO claimed
WO-2011137587-A1 CYTOKINE INHIBITORS HUTCHISON MEDIPHARMA LIMITED (CN) 2011-11-10 WO disclosed
WO-2011137587-A1 CYTOKINE INHIBITORS HUTCHISON MEDIPHARMA LIMITED (CN) 2011-11-10 WO disclosed