SCHEMBL8021755

SCHEMBL8021755

Cc1nc(-c2ccc(Cl)cc2)nc(OC2CCCC(C(F)(F)F)C2)c1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
NPC1 O15118 2/20 0.39
ALDH1A1 P00352 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
PKM P14618 1/20 0.39
NPSR1 Q6W5P4 2/20 0.38
HPGD P15428 2/20 0.37
TSHR P16473 2/20 0.37
POLB P06746 1/20 0.37
HSD17B10 Q99714 1/20 0.37
FFAR4 Q5NUL3 1/20 0.36
SGK1 O00141 2/20 0.36
CNR1 P21554 3/20 0.35
RXRA P19793 4/20 0.35
NR4A2 P43354 4/20 0.35
KCNH2 Q12809 1/20 0.34
SIGMAR1 Q99720 1/20 0.34

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
SCHEMBL8037264 0.89 KDM4E (0.39) KDM4EMEN1KMT2ANPC1ALDH1A1
SCHEMBL8037711 0.86 KDM4E (0.47) KDM4EMEN1KMT2ANPC1ALDH1A1
SCHEMBL8044033 0.77 CNR1 (0.40) SMN1; SMN2FFAR4CNR1RXRANR4A2
SCHEMBL8038387 0.74 KDM4E (0.46) KDM4EMEN1KMT2ANPC1ALDH1A1
SCHEMBL8037790 0.72 CNR1 (0.46) KDM4EMEN1KMT2ANPC1ALDH1A1
SCHEMBL4007802 0.72 ATM (0.40) ALDH1A1SMN1; SMN2NPSR1HPGDTSHR
SCHEMBL8034897 0.72 KDM4E (0.46) KDM4EMEN1KMT2ANPC1ALDH1A1
SCHEMBL8039605 0.71 CNR1 (0.41) CNR1RXRANR4A2
SCHEMBL8021765 0.70 KDM4E (0.51) KDM4EMEN1KMT2ANPC1ALDH1A1
SCHEMBL4016761 0.70 ATM (0.55) 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