SCHEMBL13148458

SCHEMBL13148458

Cc1ccc(Nc2cc(=O)n3c(c2C(=O)O)CCCC3)c(F)c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 12/20 0.50
MAP2K2 P36507 6/20 0.47
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 2/20 0.43
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
MAPK1 P28482 1/20 0.41
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
GFER P55789 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL13613786 0.97 MAP2K1 (0.53) MAP2K1MAP2K2KDM4EALDH1A1KMT2A
SCHEMBL693420 0.87 MAP2K1 (0.50) MAP2K1MAP2K2ALDH1A1KMT2ANPC1
SCHEMBL693328 0.83 MAP2K1 (0.69) MAP2K1MAP2K2
SCHEMBL694244 0.83 MAP2K1 (0.53) MAP2K1MAP2K2ALDH1A1KMT2ANPC1
SCHEMBL697510 0.83 MAP2K1 (0.53) MAP2K1ALDH1A1KMT2AMEN1
SCHEMBL13148370 0.81 MAP2K1 (0.59) MAP2K1MAP2K2RAB9A
SCHEMBL697699 0.81 MAP2K1 (0.52) MAP2K1MAP2K2KDM4EALDH1A1KMT2A
SCHEMBL13148456 0.81 MAP2K1 (0.55) MAP2K1MAP2K2KDM4EALDH1A1KMT2A
SCHEMBL693613 0.78 ALDH1A1 (0.54) MAP2K1MAP2K2ALDH1A1KMT2AMEN1
SCHEMBL692982 0.77 ALDH1A1 (0.43) MAP2K1MAP2K2KDM4EALDH1A1KMT2A

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-2010121646-A1 HETEROCYCLIC COMPOUNDS AS MEK INHIBITORS NOVARTIS AG (CH) 2010-10-28 WO disclosed