SCHEMBL4007701

SCHEMBL4007701

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTRC Q99895 1/20 0.41
CYP1A2 P05177 1/20 0.41
POLB P06746 1/20 0.41
NAMPT P43490 2/20 0.39
MAPT P10636 1/20 0.39
ADORA3 P0DMS8 3/20 0.39
RAB9A P51151 2/20 0.39
GAA P10253 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
RXRA P19793 2/20 0.38
NR4A2 P43354 2/20 0.38
HEXA P06865 1/20 0.38
HEXB P07686 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
PKM P14618 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL8027468 0.92 DHODH (0.41) CTRCCYP1A2POLBNAMPTMAPT
SCHEMBL8036259 0.89 NR1H4 (0.39) CTRCCYP1A2POLBNAMPTMAPT
SCHEMBL8024898 0.86 MAPT (0.40) CYP1A2POLBNAMPTMAPTADORA3
SCHEMBL8032814 0.86 NAMPT (0.39) CTRCCYP1A2POLBNAMPTMAPT
SCHEMBL8021765 0.84 KDM4E (0.51) CYP1A2POLBMAPTRAB9ATDP1
SCHEMBL4007708 0.83 CYP1A2 (0.40) CTRCCYP1A2POLBNAMPTMAPT
SCHEMBL8032185 0.81 LMNA (0.45) CYP1A2POLBMAPTADORA3RAB9A
SCHEMBL4008510 0.81 FABP3 (0.43) CTRCCYP1A2POLBMAPTADORA3
SCHEMBL8038397 0.80 TARBP2 (0.49) CYP1A2POLBMAPTADORA3RAB9A
SCHEMBL8036404 0.79 CYP1A2 (0.43) CYP1A2POLBMAPTRAB9AGAA

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