SCHEMBL19554192

SCHEMBL19554192

O=C(O)c1ccc2cc(OC(F)(F)F)ccc2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.61
PIM1 P11309 1/20 0.56
AURKA O14965 1/20 0.53
TPX2 Q9ULW0 1/20 0.53
MRGPRX4 Q96LA9 2/20 0.52
PTPN1 P18031 1/20 0.51
EPHX2 P34913 2/20 0.51
FAAH O00519 1/20 0.51
IGF2BP2 Q9Y6M1 1/20 0.47
ALDH1A1 P00352 1/20 0.46
TSHR P16473 1/20 0.46
HSD17B10 Q99714 1/20 0.46
GAA P10253 2/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
MITF O75030 1/20 0.46
RAB9A P51151 1/20 0.46
EGLN1 Q9GZT9 1/20 0.45
KCNK2 O95069 1/20 0.45

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
SCHEMBL19554282 0.88 KDM4E (0.59) KDM4EPIM1AURKATPX2MRGPRX4
SCHEMBL2722609 0.83 MRGPRX4 (0.55) KDM4EPIM1MRGPRX4ALDH1A1GAA
SCHEMBL219654 0.83 EPHX2 (0.68) AURKATPX2MRGPRX4EPHX2FAAH
SCHEMBL17288697 0.81 PIM1 (0.44) KDM4EPIM1AURKATPX2EPHX2
Hydrochloric Acid SCHEMBL8086285 0.81 EPHX2 (0.66) AURKATPX2MRGPRX4EPHX2FAAH
Hydrochloric Acid SCHEMBL10392412 0.81 KDM4E (0.50) KDM4EAURKATPX2MRGPRX4PTPN1
SCHEMBL29459930 0.80 MRGPRX4 (0.61) AURKATPX2MRGPRX4EPHX2GAA
SCHEMBL496275 0.80 MRGPRX4 (0.61) AURKATPX2MRGPRX4EPHX2GAA
SCHEMBL19554267 0.80 KDM4E (0.62) KDM4EMRGPRX4PTPN1ALDH1A1TSHR
SCHEMBL29359975 0.78 KDM4E (0.68) KDM4EPTPN1ALDH1A1TSHRHSD17B10

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-2017192304-A1 ARYLCARBOXAMIDES AND USES THEREOF INCEPTION 1, INC. (US) 2017-11-09 WO disclosed