SCHEMBL6065449

SCHEMBL6065449

CCOC(=O)c1c(-c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)c(C#N)cn1C

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AR P10275 8/20 0.51
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MAPT P10636 3/20 0.44
KCNJ1 P48048 1/20 0.42
KCNH2 Q12809 1/20 0.42
TP53 P04637 1/20 0.41
HRH2 P25021 1/20 0.41
HRH1 P35367 1/20 0.41
RAB9A P51151 2/20 0.41
GAA P10253 1/20 0.41
PRKCZ Q05513 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
SCHEMBL8288405 0.91 AR (0.42) ARMEN1KMT2AMAPTRAB9A
SCHEMBL4373016 0.86 MAP2K1 (0.50) MEN1KMT2ASMN1; SMN2TP53RAB9A
SCHEMBL8289330 0.86 KDM4E (0.48) MEN1KMT2ASMN1; SMN2MAPTHRH2
SCHEMBL4375337 0.86 KMT2A (0.40) ARMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL4558565 0.85 MEN1 (0.48) MEN1KMT2AMAPTGAA
SCHEMBL8287320 0.84 SLC6A2 (0.46) ARMEN1KMT2AMAPTRAB9A
SCHEMBL4540892 0.83 GPR55 (0.43) MEN1KMT2AMAPT
SCHEMBL4381278 0.82 AR (0.39) ARKMT2ASMN1; SMN2MAPTRAB9A
SCHEMBL4372519 0.81 HRH2 (0.46) ARKMT2ASMN1; SMN2HRH2HRH1
SCHEMBL4562563 0.81 HRH2 (0.42) MEN1KMT2AHRH2HRH1

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-1670757-A1 PYRROLE AND PYRAZOLE DERIVATIVES AS POTENTIATORS OF GLUTAMATE RECEPTORS ELI LILLY AND COMPANY (US) 2006-06-21 EP disclosed
WO-2005040110-A1 PYRROLE AND PYRAZOLE DERIVATIVES AS POTENTIATORS OF GLUTAMATE RECEPTORS ELI LILLY AND COMPANY (US) 2005-05-06 WO disclosed