SCHEMBL11488352

SCHEMBL11488352

CCCC(CC)n1cc(C(N)=O)c([N+](=O)[O-])n1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.35
MAPT P10636 2/20 0.32
CYP3A4 P08684 1/20 0.32
BLM P54132 1/20 0.32
PMP22 Q01453 1/20 0.32
ATM Q13315 1/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 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
SCHEMBL11471482 0.81 DPP7 (0.33) SMN1; SMN2MAPTCYP3A4BLMPMP22
SCHEMBL11479666 0.79 ADORA2A (0.43) SMN1; SMN2MAPTCYP3A4BLMPMP22
SCHEMBL11472448 0.77 CYP2C9 (0.35) SMN1; SMN2MAPTCYP3A4BLMPMP22
SCHEMBL11379771 0.74 MAPT (0.43) SMN1; SMN2MAPTCYP3A4BLMPMP22
SCHEMBL11481166 0.74 SMN1; SMN2 (0.42) SMN1; SMN2MAPTCYP3A4BLMPMP22
SCHEMBL11471483 0.73 SMN1; SMN2 (0.34) SMN1; SMN2MAPTCYP3A4BLMPMP22
SCHEMBL11488033 0.73 SMN1; SMN2 (0.33) SMN1; SMN2MAPTCYP3A4BLMPMP22
SCHEMBL17619941 0.70 ALDH1A1 (0.36) SMN1; SMN2MAPTCYP3A4BLMATM
SCHEMBL6233600 0.70 ACHE (0.39)
SCHEMBL11488355 0.70 KDR (0.42) SMN1; SMN2MAPTCYP3A4LMNASLC6A3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4235995-A BACTERIOCIDES, PARASITICIDES, HERBICIDES ELI LILLY AND COMPANY (US) 1980-11-25 US disclosed
US-4145554-A BACTERICIDES, MICROBIOCIDES, HERBICIDES, PARASITICDES ELI LILLY AND COMPANY (US) 1979-03-20 US disclosed
US-4066776-A Anti-bacterial compositions containing certain 3-nitropyrazoles ELI LILLY AND COMPANY (US) 1978-01-03 US disclosed