SCHEMBL5320487

SCHEMBL5320487

O=C(O)c1cccc(OC(F)(F)C(F)(F)Br)c1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.54
NR4A2 P43354 6/20 0.49
KMT2A Q03164 2/20 0.47
MRGPRX4 Q96LA9 4/20 0.47
KMO O15229 1/20 0.46
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
MEN1 O00255 1/20 0.44
MITF O75030 1/20 0.44
GAA P10253 1/20 0.44
NR4A1 P22736 1/20 0.43
NR4A3 Q92570 1/20 0.43
POLB P06746 1/20 0.43
CYP2C9 P11712 1/20 0.43

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
SCHEMBL10559975 0.88 AKR1C3 (0.56) AKR1C3NR4A2KMT2AMRGPRX4KMO
SCHEMBL496275 0.84 MRGPRX4 (0.61) AKR1C3NR4A2KMT2AMRGPRX4KMO
SCHEMBL29459930 0.84 MRGPRX4 (0.61) AKR1C3NR4A2KMT2AMRGPRX4KMO
SCHEMBL4565278 0.83 AKR1C3 (0.50) AKR1C3NR4A2KMT2AMRGPRX4KMO
SCHEMBL5328114 0.83 MRGPRX4 (0.51) KMT2AMRGPRX4NPC1RAB9AMEN1
SCHEMBL6856136 0.82 AURKA (0.41) AKR1C3NR4A2KMT2AMRGPRX4MEN1
SCHEMBL978712 0.80 AKR1C3 (0.54) AKR1C3NR4A2KMT2AMRGPRX4KMO
SCHEMBL6635490 0.80 KIF11 (0.35) KMT2AMEN1MITFGAA
SCHEMBL10558279 0.80 AKR1C3 (0.50) AKR1C3NR4A2KMT2AMRGPRX4KMO
SCHEMBL9171619 0.79 TSHR (0.57) NR4A2KMT2AMRGPRX4NR4A1NR4A3

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-2007114652-A1 NOVEL BENZIMIDAZOLE MONOMERS TERMINATED WITH TRIFLUOROVINYLOXY GROUPS AND POLYBENZIMIDAZOLES MEMBRANE PREPARED BY USING THE SAME MONOMERS KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2007-10-11 WO disclosed