SCHEMBL15958475

SCHEMBL15958475

O=[N+]([O-])c1ccc(N2CC[C@]3(CCO3)C2)cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 2/20 0.52
MAPT P10636 4/20 0.51
SIRT6 Q8N6T7 2/20 0.49
ALDH1A1 P00352 1/20 0.49
POLB P06746 1/20 0.49
ADRB1 P08588 1/20 0.49
AKR1C3 P42330 1/20 0.48
LMNA P02545 1/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
TDP1 Q9NUW8 1/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
BLM P54132 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
SCHEMBL15958477 1.00 CRBN (0.52) CRBNMAPTSIRT6ALDH1A1POLB
SCHEMBL15958467 0.92 MAPT (0.56) CRBNMAPTSIRT6ALDH1A1POLB
SCHEMBL15958469 0.92 MAPT (0.56) CRBNMAPTSIRT6ALDH1A1POLB
SCHEMBL15958457 0.91 MAPT (0.58) CRBNMAPTSIRT6ALDH1A1POLB
SCHEMBL15958456 0.89 MAPT (0.51) CRBNMAPTSIRT6ALDH1A1POLB
SCHEMBL2230536 0.79 MAPT (0.58) CRBNMAPTSIRT6ALDH1A1POLB
SCHEMBL22466180 0.78 MAPT (0.57) CRBNMAPTSIRT6ALDH1A1POLB
SCHEMBL22466224 0.78 SIRT6 (0.58) CRBNMAPTSIRT6ALDH1A1POLB
SCHEMBL27625331 0.78 SIRT6 (0.54) CRBNMAPTSIRT6ALDH1A1POLB
SCHEMBL22466069 0.77 POLB (0.57) CRBNMAPTSIRT6ALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2867238-B1 PHENYL AMINO PYRIMIDINE BICYCLIC COMPOUNDS AND USES THEREOF YM BIOSCIENCES AUSTRALIA PTY (AU) 2017-08-09 EP disclosed
US-8809359-B2 Phenyl amino pyrimidine bicyclic compounds and uses thereof YM BIOSCIENCES AUSTRALIA PTY LTD (US) 2014-08-19 US disclosed