SCHEMBL4590950

SCHEMBL4590950

COc1ccc(CN(C(=O)O)c2ccc(C=O)cn2)cn1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 1/20 0.45
TRPM8 Q7Z2W7 1/20 0.43
KMT2A Q03164 3/20 0.41
MAPK1 P28482 1/20 0.41
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 2/20 0.37
NPC1 O15118 2/20 0.37
LMNA P02545 1/20 0.37
PKM P14618 1/20 0.37
NNMT P40261 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
POLB P06746 1/20 0.36
ERN1 O75460 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL641895 0.85 TAS2R14 (0.37) TAS2R14TRPM8KMT2AMAPK1SMN1; SMN2
SCHEMBL4591092 0.80 CYP1A2 (0.45) TRPM8KMT2ATSHRHTTSMN1; SMN2
SCHEMBL28661271 0.79 KCNH2 (0.41) TRPM8KMT2ATSHRHTTSMN1; SMN2
SCHEMBL4588961 0.77 TRPM8 (0.42) TRPM8TSHRHTTSMN1; SMN2ALDH1A1
SCHEMBL207440 0.76 KDM4E (0.59) KMT2ATSHRSMN1; SMN2ALDH1A1KDM4E
SCHEMBL29501241 0.76 KDM4E (0.59) KMT2ATSHRSMN1; SMN2ALDH1A1KDM4E
SCHEMBL1885189 0.74 TAS2R14 (0.39) TAS2R14KMT2ASMN1; SMN2KDM4EMEN1
SCHEMBL12252457 0.73 KDM4E (0.44) KMT2AALDH1A1KDM4EMEN1NNMT
SCHEMBL12640354 0.70 ALDH1A1 (0.42) KMT2AALDH1A1MEN1NPC1LMNA
SCHEMBL1890222 0.70 TAS2R14 (0.36) TAS2R14ERN1

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-2008063888-A2 COMPOUNDS MODULATING C-FMS AND/OR C-KIT ACTIVITY AND USES THEREFOR PLEXXIKON, INC. (US) 2008-05-29 WO disclosed