SCHEMBL8034897

SCHEMBL8034897

Cc1nc(-c2ccc(Cl)cc2)nc(OCC2CC2)c1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
NPC1 O15118 2/20 0.46
ALDH1A1 P00352 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
PKM P14618 1/20 0.46
NPSR1 Q6W5P4 2/20 0.44
CNR1 P21554 9/20 0.43
HPGD P15428 2/20 0.42
TSHR P16473 2/20 0.42
POLB P06746 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CNR2 P34972 2/20 0.42
RXRA P19793 2/20 0.41
NR4A2 P43354 2/20 0.41
KCNH2 Q12809 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
KMO O15229 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
SCHEMBL8037790 0.95 CNR1 (0.46) KDM4EMEN1KMT2ANPC1ALDH1A1
SCHEMBL8031451 0.88 KDM4E (0.46) KDM4EMEN1KMT2ANPC1ALDH1A1
SCHEMBL4007961 0.85 CNR1 (0.43) CNR1CNR2KMO
SCHEMBL8021765 0.84 KDM4E (0.51) KDM4EMEN1KMT2ANPC1ALDH1A1
SCHEMBL4009392 0.84 CNR1 (0.40) CNR1CNR2KMO
SCHEMBL8040695 0.84 CNR1 (0.46) KDM4EMEN1KMT2ANPC1ALDH1A1
SCHEMBL8021759 0.82 KDM4E (0.49) KDM4EMEN1KMT2ANPC1ALDH1A1
SCHEMBL8031033 0.81 KDM4E (0.48) KDM4EMEN1KMT2ANPC1ALDH1A1
SCHEMBL4008878 0.81 KDM4E (0.45) KDM4EMEN1KMT2ANPC1ALDH1A1
SCHEMBL8037711 0.80 KDM4E (0.47) KDM4EMEN1KMT2ANPC1ALDH1A1

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