SCHEMBL11842419

SCHEMBL11842419

Cn1c(=O)[nH]c(=O)n(-c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)c1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 8/20 0.52
NTRK2 Q16620 8/20 0.52
IGF1R P08069 5/20 0.52
FGFR1 P11362 5/20 0.52
NTRK3 Q16288 4/20 0.52
MAPT P10636 4/20 0.44
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
HTT P42858 3/20 0.44
HSPB1 P04792 1/20 0.44
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
ATM Q13315 1/20 0.41
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LTA4H P09960 1/20 0.40
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
PKM P14618 1/20 0.40

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
SCHEMBL11767801 0.85 MAPT (0.52) MAPTKMT2AMEN1HTTGSK3A
SCHEMBL11832703 0.85 HSPB1 (0.50) MAPTKMT2AMEN1HTTHSPB1
SCHEMBL11767196 0.84 GSK3B (0.41) MAPTKMT2AMEN1HTTGSK3A
SCHEMBL11831354 0.82 NTRK1 (0.77) NTRK1NTRK2IGF1RFGFR1NTRK3
SCHEMBL21295367 0.81 NTRK1 (0.57) NTRK1NTRK2IGF1RFGFR1NTRK3
SCHEMBL11838709 0.79 NTRK1 (0.52) NTRK1NTRK2IGF1RFGFR1NTRK3
SCHEMBL10527978 0.76 NTRK1 (0.49) NTRK1NTRK2IGF1RFGFR1NTRK3
SCHEMBL11830607 0.76 PDE7A (0.48) NTRK1NTRK2IGF1RFGFR1NTRK3
SCHEMBL10525747 0.75 NTRK1 (0.51) NTRK1NTRK2IGF1RFGFR1NTRK3
SCHEMBL10528157 0.75 NTRK1 (0.48) NTRK1NTRK2IGF1RFGFR1NTRK3

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
US-3933814-A ANTIPROTOZOA, ANTICOCCIDIOSIS BAYER AKTIENGESELLSCHAFT (DT) 1976-01-20 US disclosed