SCHEMBL2364109

SCHEMBL2364109

CCCCCNc1ccc2[nH]c(CCCCC)nc2c1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.45
KCNH3 Q9ULD8 1/20 0.43
BCHE P06276 1/20 0.42
TRPC3 Q13507 1/20 0.42
TRPC4 Q9UBN4 1/20 0.42
TRPC5 Q9UL62 1/20 0.42
ABL1 P00519 1/20 0.42
KMT2A Q03164 2/20 0.41
MAPT P10636 2/20 0.40
PKM P14618 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL22299102 0.81 PPARG (0.46)
SCHEMBL22299211 0.81 PPARG (0.46)
SCHEMBL8594366 0.79 POLB (0.51) POLBKMT2AMAPTPKMKDM4E
SCHEMBL9721042 0.79 KMT2A (0.62) POLBKMT2AMAPTPKMKDM4E
SCHEMBL10436144 0.78 CYP1A2 (0.49) POLBKMT2A
SCHEMBL10336405 0.77 POLB (0.50) POLBKMT2AMAPTPKMKDM4E
SCHEMBL9721019 0.77 KMT2A (0.60) POLBKMT2AMAPTPKMKDM4E
SCHEMBL2679457 0.77 KMT2A (0.60) POLBKMT2AMAPTPKMKDM4E
SCHEMBL9721038 0.77 KMT2A (0.60) POLBKMT2AMAPTPKMKDM4E
SCHEMBL2947741 0.77 KMT2A (0.60) POLBKMT2AMAPTPKMKDM4E

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
EP-2348855-A2 SMALL MOLECULE COMPOUNDS FOR STEM CELL DIFFERENTIATION Burnham Institute for Medical Research (US) 2011-08-03 EP disclosed
WO-2010033643-A2 SMALL MOLECULE COMPOUNDS FOR STEM CELL DIFFERENTIATION BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-03-25 WO disclosed