SCHEMBL27600131

SCHEMBL27600131

CN(C)c1cc(C(N)=O)c(O)c(-c2ccccc2)c1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ IKBKB O14920 5/20 0.40
▸ CHUK O15111 3/20 0.40
▸ AKR1C2 P52895 1/20 0.38
▸ AKR1C1 Q04828 1/20 0.38
▸ BRD4 O60885 1/20 0.36
▸ SLC9A1 P19634 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ BCAT2 O15382 1/20 0.36
▸ TACR1 P25103 5/20 0.35
▸ PLK1 P53350 1/20 0.34
▸ ERN1 O75460 1/20 0.34
▸ FABP4 P15090 1/20 0.34
▸ DHODH Q02127 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
SCHEMBL27599960 0.81 AKR1C2 (0.44) IKBKBCHUKAKR1C2AKR1C1BRD4
SCHEMBL25436660 0.80 KDM4E (0.44) IKBKBCHUKAKR1C2AKR1C1KDM4E
SCHEMBL27600133 0.80 AKR1C2 (0.43) IKBKBCHUKAKR1C2AKR1C1BRD4
SCHEMBL27600956 0.72 FABP4 (0.39) IKBKBCHUKBRD4KDM4EALDH1A1
SCHEMBL27600108 0.72 PDK2 (0.41) IKBKBAKR1C2AKR1C1KDM4EALDH1A1
SCHEMBL27599997 0.71 FABP4 (0.46) IKBKBKDM4EALDH1A1HPGDMAPK1
SCHEMBL4681806 0.70 BCAT2 (0.41) IKBKBCHUKBRD4KDM4EALDH1A1
SCHEMBL28916377 0.69 BCAT2 (0.42) IKBKBCHUKAKR1C2AKR1C1KDM4E
SCHEMBL5480723 0.68 BCAT2 (0.42) IKBKBBRD4SLC9A1KDM4EALDH1A1
SCHEMBL3763563 0.68 FABP4 (0.43) IKBKBCHUKBRD4KDM4EALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101849953-B Inflammatory cytokine release inhibitor INST MED MOLECULAR DESIGN INC 2012-04-25 — — CN disclosed
CN-101849953-A Inflammatory cytokine release inhibitor INST MED MOLECULAR DESIGN INC 2010-10-06 — — CN disclosed
CN-100370975-C Inflammatory cytokine production dissociation inhibitor INST OF MEDICINE MOLECULAR DES (JP) 2008-02-27 — — CN disclosed
CN-101125138-A Inhibitors against the production and release of inflammatory cytokines INST MED MOLECULAR DESIGN INC (JP) 2008-02-20 — — CN disclosed
CN-1489458-A Inflammatory cytokine production dissociation inhibitor ��ʽ����ҽҩ��������о��� 2004-04-14 — — CN disclosed
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