SCHEMBL14435246

SCHEMBL14435246

CCCOC1CC(C(=O)Nc2ccc3c(c2)CCNCC3)N(C(=O)Nc2ccc(Br)cc2)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MELK Q14680 2/20 0.47
F10 P00742 3/20 0.42
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.36
COL1A1 P02452 1/20 0.36
CFD P00746 2/20 0.35
KLKB1 P03952 2/20 0.35
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
MLNR O43193 1/20 0.35
DRD2 P14416 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
DRD3 P35462 1/20 0.35
HTR6 P50406 1/20 0.35
SLC2A1 P11166 1/20 0.34
POLB P06746 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
NAMPT P43490 1/20 0.34

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
SCHEMBL14435250 0.91 F10 (0.51) F10KLKB1HTR2CSLC2A1POLB
SCHEMBL12371442 0.90 F10 (0.44) MELKF10MEN1KMT2AKDM4E
SCHEMBL14434240 0.88 MELK (0.51) MELKF10MEN1KMT2AKDM4E
SCHEMBL12371463 0.88 MELK (0.51) MELKF10MEN1KMT2AKDM4E
SCHEMBL14435247 0.83 F10 (0.48) MELKF10KLKB1HTR2CSLC2A1
SCHEMBL12371440 0.82 F10 (0.54) F10MEN1KMT2AKLKB1HCRTR1
SCHEMBL14434994 0.81 NPC1 (0.46) MELKF10MEN1KMT2AKDM4E
SCHEMBL14435010 0.81 MELK (0.51) MELKMEN1KMT2AKDM4ECFD
SCHEMBL14435007 0.80 MELK (0.49) MELKMEN1KMT2AKDM4ECFD
SCHEMBL14434230 0.79 F10 (0.47) MELKF10MEN1KMT2ACFD

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-2007093595-A1 SUBSTITUTED PROLINAMIDES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-08-23 WO disclosed