SCHEMBL8034254

SCHEMBL8034254

CCCc1nc(-c2ccc(Cl)cc2)nc(OCC2(C)CC2)c1C(=O)OCC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.42
CYP1A2 P05177 2/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 5/20 0.40
GAA P10253 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
GPR55 Q9Y2T6 1/20 0.39
TARBP2 Q15633 1/20 0.38
PRKCZ Q05513 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.38
NAMPT P43490 2/20 0.37
RAB9A P51151 1/20 0.37
TP53 P04637 1/20 0.37
MDM2 Q00987 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
GABRA2 P47869 1/20 0.37
GABRB2 P47870 1/20 0.37
SIRT2 Q8IXJ6 1/20 0.37
SIRT1 Q96EB6 1/20 0.37

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
SCHEMBL8032814 0.89 NAMPT (0.39) CYP1A2POLBMAPTNAMPTRAB9A
SCHEMBL8037293 0.88 LMNA (0.49) LMNACYP1A2POLBMAPTGAA
SCHEMBL8032185 0.86 LMNA (0.45) LMNACYP1A2POLBMAPTGAA
SCHEMBL4014827 0.85 NAMPT (0.37) LMNACYP1A2POLBMAPTGAA
SCHEMBL8038397 0.83 TARBP2 (0.49) LMNACYP1A2POLBMAPTTARBP2
SCHEMBL8036404 0.83 CYP1A2 (0.43) LMNACYP1A2POLBMAPTGAA
SCHEMBL8034697 0.79 MAPT (0.40) LMNACYP1A2POLBMAPTGAA
SCHEMBL4008878 0.78 KDM4E (0.45) LMNACYP1A2POLBGAANPSR1
SCHEMBL4007701 0.77 CTRC (0.41) CYP1A2POLBMAPTGAANAMPT
SCHEMBL8030988 0.74 KDM4E (0.53) LMNACYP1A2POLBMAPTGAA

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