SCHEMBL5602744

SCHEMBL5602744

CCN1CCCC1CNC(=O)c1cc(-c2cc(Nc3cc(F)cc(N4CCOCC4)c3)ccc2C)no1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
DRD2 P14416 2/20 0.41
NPC1 O15118 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MAPK14 Q16539 5/20 0.40
RAF1 P04049 3/20 0.39
BRAF P15056 3/20 0.39

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
SCHEMBL4412840 0.90 RAF1 (0.51) MAPK14RAF1BRAF
SCHEMBL4551381 0.86 RAB9A (0.53) RAB9AMEN1KMT2ANPC1L3MBTL1
SCHEMBL4551703 0.85 MAPK14 (0.48) MAPK14RAF1BRAF
SCHEMBL4552281 0.83 RAF1 (0.45) MAPK14RAF1BRAF
SCHEMBL5603194 0.82 RAF1 (0.43) ALDH1A1MAPK14RAF1BRAF
SCHEMBL4541474 0.82 RAF1 (0.42) KMT2AL3MBTL1KDM4EMAPK14RAF1
SCHEMBL4541525 0.82 ACKR3 (0.44) MAPK14RAF1BRAF
SCHEMBL4551892 0.82 RAF1 (0.44) MAPK14RAF1BRAF
SCHEMBL4411016 0.82 BRAF (0.46) RAB9AMAPK14RAF1BRAF
SCHEMBL5604081 0.80 RAF1 (0.42) KDM4EMAPK14RAF1BRAF

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-2007075896-A2 HETEROCYCLIC CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-07-05 WO disclosed