SCHEMBL8036259

SCHEMBL8036259

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 2/20 0.39
XDH P47989 1/20 0.39
CTRC Q99895 1/20 0.38
ATM Q13315 1/20 0.38
NAMPT P43490 3/20 0.37
PTGER1 P34995 1/20 0.37
CYP1A2 P05177 1/20 0.36
POLB P06746 1/20 0.36
TDP1 Q9NUW8 2/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
SGK1 O00141 2/20 0.36
SELPLG Q14242 1/20 0.36
SCN5A Q14524 1/20 0.36
SCN9A Q15858 1/20 0.36
TARBP2 Q15633 1/20 0.35
RXRA P19793 1/20 0.35
NR4A2 P43354 1/20 0.35

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
SCHEMBL8034649 0.89 NR1H4 (0.40) NR1H4XDHATMNAMPTPTGER1
SCHEMBL4007701 0.89 CTRC (0.41) CTRCNAMPTCYP1A2POLBTDP1
SCHEMBL8036404 0.88 CYP1A2 (0.43) CYP1A2POLBTDP1ALDH1A1LMNA
SCHEMBL8027468 0.87 DHODH (0.41) CTRCNAMPTCYP1A2POLBTDP1
SCHEMBL8031033 0.84 KDM4E (0.48) NR1H4XDHATMPTGER1CYP1A2
SCHEMBL8024898 0.82 MAPT (0.40) ATMNAMPTCYP1A2POLBTDP1
SCHEMBL8032814 0.82 NAMPT (0.39) CTRCATMNAMPTCYP1A2POLB
SCHEMBL4009791 0.79 FABP4 (0.41) NR1H4XDHATMNAMPTPTGER1
SCHEMBL8027574 0.77 NAMPT (0.39) ATMNAMPTTDP1ALDH1A1LMNA
SCHEMBL8024872 0.76 KDM4E (0.48) CYP1A2POLBTDP1ALDH1A1LMNA

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