SCHEMBL11830607

SCHEMBL11830607

Cn1c(=O)[nH]c(=O)n(-c2ccc(Oc3ccc(Cl)cc3)c([N+](=O)[O-])c2)c1=O

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 1/20 0.48
NTRK1 P04629 9/20 0.48
NTRK2 Q16620 9/20 0.48
NTRK3 Q16288 6/20 0.48
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 2/20 0.44
HPGD P15428 2/20 0.44
IGF1R P08069 3/20 0.44
FGFR1 P11362 3/20 0.44
MAPT P10636 3/20 0.43
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HSPB1 P04792 1/20 0.39

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
SCHEMBL21295367 0.80 NTRK1 (0.57) NTRK1NTRK2NTRK3SMN1; SMN2LMNA
SCHEMBL11842419 0.76 NTRK1 (0.52) NTRK1NTRK2NTRK3MEN1KMT2A
SCHEMBL21295423 0.75 NTRK1 (0.61) NTRK1NTRK2NTRK3IGF1RFGFR1
SCHEMBL5863266 0.73 PDE7A (0.82) PDE7AMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL29780387 0.73 PDE7A (0.82) PDE7AMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL13780156 0.73 NTRK1 (0.48) NTRK1NTRK2NTRK3IGF1RFGFR1
SCHEMBL10528041 0.72 EPAS1 (0.44) NTRK1NTRK2NTRK3IGF1RFGFR1
SCHEMBL13780151 0.72 NTRK1 (0.60) NTRK1NTRK2NTRK3IGF1RFGFR1
SCHEMBL21295325 0.71 NTRK1 (0.81) NTRK1NTRK2NTRK3IGF1RFGFR1
SCHEMBL30743934 0.71 NTRK1 (0.81) NTRK1NTRK2NTRK3IGF1RFGFR1

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