SCHEMBL4014170

SCHEMBL4014170

CCCOc1nc(-c2ccc(Cl)cc2)nc(C(C)C)c1OC(=O)OCC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.43
LMNA P02545 3/20 0.43
ALDH1A1 P00352 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
DHPS P49366 1/20 0.41
CYP1A2 P05177 1/20 0.39
POLB P06746 1/20 0.39
RAB9A P51151 2/20 0.39
NPSR1 Q6W5P4 3/20 0.36
GAA P10253 1/20 0.36
GPR55 Q9Y2T6 1/20 0.36
NPC1 O15118 1/20 0.36
NFKB1 P19838 1/20 0.36
CASP3 P42574 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 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
SCHEMBL4008889 0.88 DHPS (0.41) MAPTLMNAALDH1A1TDP1DHPS
SCHEMBL4010260 0.87 ATM (0.45) MAPTLMNAALDH1A1TDP1CYP1A2
SCHEMBL4014101 0.86 ALDH1A1 (0.41) MAPTLMNAALDH1A1TDP1CYP1A2
SCHEMBL4008643 0.85 MAPT (0.46) MAPTLMNAALDH1A1TDP1DHPS
SCHEMBL4010263 0.84 DHPS (0.41) MAPTLMNAALDH1A1TDP1DHPS
SCHEMBL8034434 0.83 LMNA (0.44) MAPTLMNAALDH1A1TDP1CYP1A2
SCHEMBL4010115 0.82 MAPT (0.39) MAPTLMNAALDH1A1TDP1CYP1A2
SCHEMBL4008512 0.81 MAPT (0.42) MAPTLMNAALDH1A1TDP1DHPS
SCHEMBL4011709 0.81 MAPT (0.41) MAPTLMNAALDH1A1TDP1DHPS
SCHEMBL4008885 0.79 FABP3 (0.41) MAPTLMNAALDH1A1TDP1DHPS

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