SCHEMBL8031033

SCHEMBL8031033

Cc1nc(-c2ccc(Cl)cc2)nc(OCC(C)C)c1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
ALDH1A1 P00352 3/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
PKM P14618 1/20 0.48
NPSR1 Q6W5P4 2/20 0.47
HPGD P15428 2/20 0.47
TSHR P16473 2/20 0.47
POLB P06746 2/20 0.44
HSD17B10 Q99714 1/20 0.44
XDH P47989 1/20 0.43
TARBP2 Q15633 1/20 0.43
RXRA P19793 5/20 0.42
NR4A2 P43354 5/20 0.42
NR1H4 Q96RI1 2/20 0.42
ATM Q13315 1/20 0.41
KCNH2 Q12809 1/20 0.40

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
SCHEMBL4011712 0.88 KDM4E (0.46) KDM4EMEN1KMT2AALDH1A1NPC1
SCHEMBL8024872 0.87 KDM4E (0.48) KDM4EMEN1KMT2AALDH1A1NPC1
SCHEMBL8021765 0.86 KDM4E (0.51) KDM4EMEN1KMT2AALDH1A1NPC1
SCHEMBL8034649 0.86 NR1H4 (0.40) KDM4EMEN1KMT2AALDH1A1NPC1
SCHEMBL8021759 0.84 KDM4E (0.49) KDM4EMEN1KMT2AALDH1A1NPC1
SCHEMBL8036259 0.84 NR1H4 (0.39) ALDH1A1POLBXDHTARBP2RXRA
SCHEMBL4016761 0.84 ATM (0.55) KDM4EMEN1KMT2AALDH1A1NPC1
SCHEMBL4009791 0.83 FABP4 (0.41) NPSR1HPGDTSHRXDHTARBP2
SCHEMBL8034897 0.81 KDM4E (0.46) KDM4EMEN1KMT2AALDH1A1NPC1
SCHEMBL4008878 0.80 KDM4E (0.45) KDM4EMEN1KMT2AALDH1A1NPC1

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