SCHEMBL4749418

SCHEMBL4749418

Cc1c(F)cccc1C1C(C(=O)c2cccc(O)c2)CN(CCOCCN)CC1C(=O)c1cccc(O)c1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM2B Q8NHM5 4/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
KDR P35968 2/20 0.32
SLC2A1 P11166 1/20 0.32
SLC2A4 P14672 1/20 0.32
CYP2D6 P10635 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
MC4R P32245 1/20 0.32
NPC1 O15118 1/20 0.32
TNF P01375 1/20 0.32
RAB9A P51151 1/20 0.32
NOD1 Q9Y239 1/20 0.32
ESR1 P03372 3/20 0.32
MGLL Q99685 1/20 0.31

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
SCHEMBL4749411 1.00 KDM2B (0.33) KDM2BMEN1KMT2AKDRSLC2A1
SCHEMBL4748997 0.91 MEN1 (0.34) KDM2BMEN1KMT2AESR1MGLL
SCHEMBL4028191 0.91 KIF11 (0.35) KDM2BMEN1KMT2AESR1MGLL
SCHEMBL4749199 0.91 MEN1 (0.34) KDM2BMEN1KMT2AESR1MGLL
SCHEMBL4024525 0.90 MEN1 (0.35) KDM2BMEN1KMT2ASLC2A1SLC2A4
SCHEMBL4024540 0.90 MEN1 (0.35) KDM2BMEN1KMT2ASLC2A1SLC2A4
SCHEMBL13720775 0.90 MEN1 (0.35) KDM2BMEN1KMT2ASLC2A1SLC2A4
SCHEMBL4749122 0.90 KDR (0.35) KDM2BMEN1KMT2AKDRMGLL
SCHEMBL4029040 0.90 DRD3 (0.35) KDM2BMEN1KMT2AESR1
SCHEMBL4026512 0.90 NPC1 (0.41) KDM2BMEN1KMT2AKDRSLC2A1

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
WO-2008140810-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED (US) 2008-11-20 WO claimed
WO-2008140810-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED (US) 2008-11-20 WO disclosed