SCHEMBL15958467

SCHEMBL15958467

O=[N+]([O-])c1ccc(N2CCC[C@]3(CCO3)C2)cc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.56
LMNA P02545 1/20 0.49
CRBN Q96SW2 2/20 0.47
SIRT6 Q8N6T7 2/20 0.47
ALDH1A1 P00352 1/20 0.47
POLB P06746 1/20 0.47
ADRB1 P08588 1/20 0.47
AKR1C3 P42330 1/20 0.46
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
BLM P54132 1/20 0.41

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
SCHEMBL15958469 1.00 MAPT (0.56) MAPTLMNACRBNSIRT6ALDH1A1
SCHEMBL15958475 0.92 CRBN (0.52) MAPTLMNACRBNSIRT6ALDH1A1
SCHEMBL15958477 0.92 CRBN (0.52) MAPTLMNACRBNSIRT6ALDH1A1
SCHEMBL15958456 0.87 MAPT (0.51) MAPTLMNACRBNSIRT6ALDH1A1
SCHEMBL15958457 0.82 MAPT (0.58) MAPTLMNACRBNSIRT6ALDH1A1
SCHEMBL18053865 0.81 MAPT (0.61) MAPTLMNAALDH1A1POLB
SCHEMBL6608147 0.80 MAPT (0.63) MAPTLMNACRBNSIRT6ALDH1A1
SCHEMBL15319250 0.78 MAPT (0.61) MAPTLMNACRBNSIRT6ALDH1A1
SCHEMBL30808428 0.78 MAPT (0.61) MAPTLMNACRBNSIRT6ALDH1A1
SCHEMBL15958472 0.78 ALDH1A1 (0.49) MAPTLMNACRBNALDH1A1POLB

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