SCHEMBL7976962

SCHEMBL7976962

CCn1c2ccc(C#N)cc2c2cc([N+](=O)[O-])ccc21.CCn1c2ccc(C=O)cc2c2cc([N+](=O)[O-])ccc21

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
LMNA P02545 1/20 0.56
PTGER4 P35408 3/20 0.51
CYP1A2 P05177 1/20 0.44
POLB P06746 1/20 0.40
ATM Q13315 1/20 0.40
RORC P51449 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PLK1 P53350 1/20 0.39
RAD51 Q06609 1/20 0.38
KCNJ1 P48048 1/20 0.38
KCNH2 Q12809 1/20 0.38

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
SCHEMBL7977243 0.91 MAPT (0.67) MAPTMEN1KMT2ALMNACYP1A2
SCHEMBL4727838 0.89 MAPT (0.68) MAPTMEN1KMT2ALMNAPTGER4
SCHEMBL31021118 0.89 MAPT (0.68) MAPTMEN1KMT2ALMNAPTGER4
SCHEMBL148001 0.79 MAPT (0.85) MAPTMEN1KMT2ALMNACYP1A2
SCHEMBL29539965 0.79 MAPT (0.85) MAPTMEN1KMT2ALMNACYP1A2
SCHEMBL29648254 0.78 MAPT (0.67) MAPTMEN1KMT2ALMNAPTGER4
SCHEMBL29794143 0.76 PTGER4 (0.81) MAPTMEN1KMT2ALMNAPTGER4
SCHEMBL4832600 0.76 PTGER4 (0.81) MAPTMEN1KMT2ALMNAPTGER4
SCHEMBL21076080 0.76 RORC (0.52) MAPTMEN1KMT2APTGER4RORC
SCHEMBL11356589 0.76 MAPT (0.62) MAPTMEN1KMT2ALMNAPTGER4

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
WO-2001007409-A1 CARBAZOLE DERIVATIVES AND THEIR USE AS NEUROPEPTIDE Y5 RECEPTOR LIGANDS ASTRAZENECA UK LIMITED (GB) 2001-02-01 WO disclosed