SCHEMBL2497658

SCHEMBL2497658

COCCNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
HPGD P15428 3/20 0.44
POLB P06746 2/20 0.44
USP30 Q70CQ3 1/20 0.44
ALDH1A1 P00352 4/20 0.43
HTT P42858 2/20 0.43
MLLT3 P42568 1/20 0.43
MLLT1 Q03111 1/20 0.43
TUBB4A P04350 1/20 0.42
TUBB P07437 1/20 0.42
TUBA3C P0DPH7 1/20 0.42
TUBA1B P68363 1/20 0.42
TUBA4A P68366 1/20 0.42
TUBB4B P68371 1/20 0.42
TUBB3 Q13509 1/20 0.42
TUBB2A Q13885 1/20 0.42
TUBB8 Q3ZCM7 1/20 0.42

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
SCHEMBL2495902 0.89 POLB (0.47) LMNAMEN1KMT2AL3MBTL1HPGD
SCHEMBL2495414 0.89 MLLT3 (0.46) LMNAMEN1KMT2AL3MBTL1HPGD
SCHEMBL2497680 0.87 CYP2D6 (0.48) HPGDPOLBUSP30ALDH1A1HTT
SCHEMBL1879440 0.83 MEN1 (0.51) MEN1KMT2AALDH1A1TUBB4ATUBB
SCHEMBL2498081 0.83 MLLT3 (0.46) LMNAMEN1KMT2AHPGDPOLB
SCHEMBL2497173 0.83 MLLT3 (0.46) LMNAMEN1KMT2APOLBALDH1A1
SCHEMBL2496574 0.82 MAPT (0.49) LMNAMEN1KMT2AUSP30ALDH1A1
SCHEMBL2498711 0.81 MLLT3 (0.41) LMNAMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL12191226 0.80 SMN1; SMN2 (0.51) MEN1KMT2AHPGDALDH1A1TUBB4A
SCHEMBL1880372 0.78 TP53 (0.48) ALDH1A1TUBB4ATUBBTUBA3CTUBA1B

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-8030339-B2 Imidazole derivatives for the treatment of anxiety and related diseases NEUROSEARCH A/S (DK) 2011-10-04 US disclosed