SCHEMBL5761964

SCHEMBL5761964

Cc1ccc(C(=O)NC2CC2)cc1Nc1nc(-c2nnoc2-c2ccc([N+](=O)[O-])cc2)cs1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.44
MEN1 O00255 4/20 0.44
ALDH1A1 P00352 4/20 0.44
KMT2A Q03164 4/20 0.44
MAPK14 Q16539 5/20 0.44
POLB P06746 2/20 0.41
MAOB P27338 5/20 0.40
GFER P55789 1/20 0.40
MAOA P21397 1/20 0.40
RAB9A P51151 1/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C19 P33261 2/20 0.39
MCL1 Q07820 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CYP2C9 P11712 1/20 0.39
MAPK13 O15264 2/20 0.39
MAPK12 P53778 2/20 0.39
MAPK11 Q15759 2/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 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
SCHEMBL3316085 0.88 MAPK14 (0.55) MAPTMEN1ALDH1A1KMT2AMAPK14
SCHEMBL3317830 0.77 MAPK14 (0.44) MAPTMEN1KMT2AMAPK14SMN1; SMN2
SCHEMBL3314066 0.76 MAPK14 (0.59) MAPTMEN1ALDH1A1KMT2AMAPK14
SCHEMBL3315767 0.76 MAPK14 (0.58) MAPTMEN1ALDH1A1KMT2AMAPK14
SCHEMBL13538872 0.74 MAPK14 (0.57) MAPK14MAPK13MAPK12MAPK11
SCHEMBL3319102 0.74 MAPK14 (0.58) MAPTMEN1ALDH1A1KMT2AMAPK14
SCHEMBL3317631 0.74 MAPT (0.42) MAPTMEN1KMT2AMAPK14CYP2C19
SCHEMBL3314147 0.74 MAPK14 (0.58) MAPTMEN1ALDH1A1KMT2AMAPK14
SCHEMBL3317408 0.73 DHODH (0.47) MAPTMEN1KMT2AMAPK14RAB9A
SCHEMBL27636010 0.72 MAPK14 (0.57) MAPK14MAPK13MAPK12MAPK11

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-1635824-A2 5-MEMBERED HETEROCYCLE-BASED P-38 INHIBITORS Novartis AG (CH) 2006-03-22 EP claimed
WO-2005000298-A2 5-MEMBERED HETEROCYCLE-BASED P-38 INHIBITORS NOVARTIS AG (CH) 2005-01-06 WO claimed