SCHEMBL8036404

SCHEMBL8036404

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 5/20 0.41
LMNA P02545 3/20 0.41
TP53 P04637 1/20 0.41
MDM2 Q00987 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
NPSR1 Q6W5P4 2/20 0.40
GAA P10253 1/20 0.40
GPR55 Q9Y2T6 1/20 0.40
TARBP2 Q15633 1/20 0.40
PRKCZ Q05513 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.39
RAB9A P51151 1/20 0.39
GABRA2 P47869 1/20 0.39
GABRB2 P47870 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.39
SIRT1 Q96EB6 1/20 0.39
SIRT3 Q9NTG7 1/20 0.39

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
SCHEMBL8036259 0.88 NR1H4 (0.39) CYP1A2POLBMAPTLMNAALDH1A1
SCHEMBL8032185 0.88 LMNA (0.45) CYP1A2POLBMAPTLMNATP53
SCHEMBL8024872 0.87 KDM4E (0.48) CYP1A2POLBMAPTLMNATP53
SCHEMBL8038397 0.85 TARBP2 (0.49) CYP1A2POLBMAPTLMNATP53
SCHEMBL8034254 0.83 LMNA (0.42) CYP1A2POLBMAPTLMNATP53
SCHEMBL8034697 0.80 MAPT (0.40) CYP1A2POLBMAPTLMNATP53
SCHEMBL4007701 0.79 CTRC (0.41) CYP1A2POLBMAPTTP53ALDH1A1
SCHEMBL8031450 0.77 CYP1A2 (0.47) CYP1A2POLBMAPTLMNATP53
SCHEMBL8034649 0.77 NR1H4 (0.40) CYP1A2POLBMAPTLMNAALDH1A1
SCHEMBL8031033 0.77 KDM4E (0.48) CYP1A2POLBMAPTLMNAALDH1A1

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