SCHEMBL9942607

SCHEMBL9942607

Bc1cnc(O)c([N+](=O)[O-])c1C

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.34
ALDH1A1 P00352 3/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
GPR35 Q9HC97 2/20 0.32
TSHR P16473 3/20 0.32
MAPK1 P28482 2/20 0.32
LMNA P02545 1/20 0.32
THRB P10828 1/20 0.32
S100A4 P26447 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
ATM Q13315 1/20 0.30
KDM4E B2RXH2 1/20 0.30
POLB P06746 1/20 0.30
CTDSP1 Q9GZU7 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL25955665 0.81 MEN1 (0.42) TDP1ALDH1A1MEN1KMT2AGPR35
SCHEMBL17084499 0.80 GPR35 (0.41) TDP1ALDH1A1MEN1KMT2AGPR35
SCHEMBL18937751 0.79 MAPT (0.36) TDP1ALDH1A1MEN1KMT2ALMNA
SCHEMBL31347217 0.79 GRIN2D (0.40) TDP1ALDH1A1MEN1KMT2ATSHR
SCHEMBL1366268 0.79 GRIN2D (0.40) TDP1ALDH1A1MEN1KMT2AGPR35
SCHEMBL8194928 0.74 ALDH1A1 (0.41) TDP1ALDH1A1MEN1KMT2AGPR35
SCHEMBL27562898 0.70 HSP90AA1 (0.43) MEN1KMT2AMAPTHTT
SCHEMBL2033648 0.68 GPR35 (0.39) TDP1ALDH1A1GPR35TSHRLMNA
SCHEMBL801243 0.67 ALDH1A1 (0.50) TDP1ALDH1A1MEN1KMT2AGPR35
SCHEMBL31539684 0.67 ALDH1A1 (0.41) TDP1ALDH1A1MEN1KMT2AGPR35

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-1363705-B9 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES BRISTOL MYERS SQUIBB CO (US) 2012-11-07 EP disclosed
EP-1363705-B1 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES BRISTOL MYERS SQUIBB CO (US) 2012-06-13 EP disclosed