SCHEMBL8021765

SCHEMBL8021765

CCOc1nc(-c2ccc(Cl)cc2)nc(C)c1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.51
RAB9A P51151 5/20 0.51
ALDH1A1 P00352 5/20 0.51
NPC1 O15118 4/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
PKM P14618 1/20 0.51
NPSR1 Q6W5P4 2/20 0.48
RXRA P19793 4/20 0.47
NR4A2 P43354 4/20 0.47
TSHR P16473 4/20 0.46
POLB P06746 3/20 0.46
HSD17B10 Q99714 2/20 0.46
HPGD P15428 2/20 0.46
CYP1A2 P05177 1/20 0.46
TP53 P04637 1/20 0.45
MAPT P10636 2/20 0.44
TARBP2 Q15633 1/20 0.42
KCNH2 Q12809 1/20 0.42

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
SCHEMBL8021759 0.90 KDM4E (0.49) KDM4ERAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL8030988 0.88 KDM4E (0.53) KDM4ERAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL8031033 0.86 KDM4E (0.48) KDM4ERAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL8034897 0.84 KDM4E (0.46) KDM4ERAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL4011712 0.84 KDM4E (0.46) KDM4ERAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL4007701 0.84 CTRC (0.41) KDM4ERAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL4008510 0.84 FABP3 (0.43) KDM4ERAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL4008878 0.83 KDM4E (0.45) KDM4ERAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL8037790 0.82 CNR1 (0.46) KDM4ERAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL8024898 0.82 MAPT (0.40) KDM4ERAB9AALDH1A1NPC1SMN1; SMN2

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