SCHEMBL4015692

SCHEMBL4015692

CCOc1nc(-c2ccc(Cl)cc2)nc(CC(C)C)c1OC(=O)OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHPS P49366 1/20 0.40
NAMPT P43490 1/20 0.39
MAPT P10636 2/20 0.38
LMNA P02545 2/20 0.38
ALDH1A1 P00352 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ADORA3 P0DMS8 4/20 0.37
CYP1A2 P05177 1/20 0.36
POLB P06746 1/20 0.36
CNR1 P21554 1/20 0.36
TP53 P04637 1/20 0.36
RAB9A P51151 2/20 0.35
NPC1 O15118 2/20 0.35
TSHR P16473 2/20 0.35
SCN2A Q99250 1/20 0.35
SCN10A Q9Y5Y9 1/20 0.35
ATM Q13315 1/20 0.35
CTRC Q99895 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 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
SCHEMBL4010086 0.88 ATM (0.46) DHPSNAMPTMAPTLMNAALDH1A1
SCHEMBL4007716 0.86 ADORA3 (0.39) NAMPTMAPTLMNAALDH1A1TDP1
SCHEMBL8024878 0.83 NAMPT (0.40) NAMPTMAPTLMNAALDH1A1TDP1
SCHEMBL8024898 0.81 MAPT (0.40) NAMPTMAPTLMNAALDH1A1TDP1
SCHEMBL4009344 0.80 NPSR1 (0.39) NAMPTMAPTLMNAALDH1A1ADORA3
SCHEMBL4009395 0.77 CNR1 (0.41) NAMPTCNR1
SCHEMBL4007708 0.76 CYP1A2 (0.40) DHPSNAMPTMAPTADORA3CYP1A2
SCHEMBL4007862 0.76 NAMPT (0.38) NAMPTMAPTLMNAALDH1A1TDP1
SCHEMBL4007725 0.75 ADORA3 (0.39) NAMPTMAPTLMNAALDH1A1TDP1
SCHEMBL4008512 0.74 MAPT (0.42) DHPSMAPTLMNAALDH1A1TDP1

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-2009080248-A1 SUBSTITUTED 2-PHENYLPYRIMIDINE-5-CARBOXYLIC ACIDS AND THE USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-07-02 WO disclosed