SCHEMBL7224171

SCHEMBL7224171

COC(=O)c1ccc2c(c1)/C(=C(\C)Nc1ccc(Cl)cc1)C(=O)N2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
LRRK2 Q5S007 1/20 0.47
PSEN1 P49768 1/20 0.46
PSEN2 P49810 1/20 0.46
APH1B Q8WW43 1/20 0.46
NCSTN Q92542 1/20 0.46
APH1A Q96BI3 1/20 0.46
PSENEN Q9NZ42 1/20 0.46
PDPK1 O15530 1/20 0.45
KDR P35968 2/20 0.45
KMT2A Q03164 5/20 0.45
MEN1 O00255 4/20 0.45
AURKA O14965 1/20 0.44
RAF1 P04049 1/20 0.44
CTDSP1 Q9GZU7 1/20 0.43
IDO1 P14902 2/20 0.43
TDO2 P48775 2/20 0.43
TGM2 P21980 1/20 0.43

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
SCHEMBL12574268 0.90 PDPK1 (0.46) LRRK2PSEN1PSEN2APH1BNCSTN
SCHEMBL7226278 0.89 AURKA (0.49) MAPTPDPK1KMT2AMEN1AURKA
SCHEMBL7226273 0.88 LRRK2 (0.48) MAPTNPC1RAB9ALRRK2PDPK1
SCHEMBL1954821 0.88 KMT2A (0.47) NPC1RAB9APDPK1KMT2AMEN1
SCHEMBL12550480 0.88 KMT2A (0.47) NPC1RAB9APDPK1KMT2AMEN1
SCHEMBL1954823 0.88 KMT2A (0.47) NPC1RAB9APDPK1KMT2AMEN1
SCHEMBL7972611 0.88 KMT2A (0.47) NPC1RAB9APDPK1KMT2AMEN1
SCHEMBL7984532 0.87 RAB9A (0.49) MAPTNPC1RAB9ALRRK2PSEN1
SCHEMBL7226408 0.86 LRRK2 (0.47) MAPTNPC1RAB9ALRRK2PDPK1
SCHEMBL7226405 0.86 LRRK2 (0.47) MAPTNPC1RAB9ALRRK2PDPK1

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-6545035-B1 Having effect on various kinases and cycline/CDK complexes and on the proliferation of various tumour cells. BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-04-08 US disclosed