SCHEMBL27927283

SCHEMBL27927283

O=C(Nc1cccnc1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.87

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 2/20 0.87
▸ RAB9A P51151 5/20 0.74
▸ NPC1 O15118 4/20 0.74
▸ CYP11B1 P15538 3/20 0.73
▸ CYP11B2 P19099 3/20 0.73
▸ NAMPT P43490 7/20 0.70
▸ LMNA P02545 2/20 0.67
▸ MEN1 O00255 1/20 0.67
▸ TSHR P16473 1/20 0.67
▸ KMT2A Q03164 1/20 0.67
▸ GAA P10253 1/20 0.67
▸ HIF1A Q16665 1/20 0.67
▸ TNF P01375 1/20 0.66
▸ NOD1 Q9Y239 1/20 0.66
▸ L3MBTL1 Q9Y468 1/20 0.66
▸ SMN1; SMN2 Q16637 1/20 0.64
▸ HDAC4 P56524 1/20 0.64
▸ HDAC6 Q9UBN7 1/20 0.64

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
SCHEMBL5665029 0.87 EPHX2 (0.76) EPHX2RAB9ANPC1NAMPTLMNA
SCHEMBL12977899 0.86 RAB9A (0.67) EPHX2RAB9ANPC1CYP11B1CYP11B2
SCHEMBL792186 0.86 MEN1 (0.68) EPHX2RAB9ANPC1CYP11B1CYP11B2
SCHEMBL29737572 0.86 MEN1 (0.68) EPHX2RAB9ANPC1CYP11B1CYP11B2
SCHEMBL28007807 0.85 NAMPT (0.81) RAB9ANPC1CYP11B1CYP11B2NAMPT
SCHEMBL30772272 0.85 EPHX2 (0.87) EPHX2RAB9ANPC1NAMPTMEN1
SCHEMBL14082554 0.85 EPHX2 (0.73) EPHX2RAB9ANPC1NAMPTLMNA
SCHEMBL789622 0.85 RAB9A (0.78) EPHX2RAB9ANPC1KMT2AGAA
SCHEMBL789916 0.85 EPHX2 (0.65) EPHX2RAB9ANPC1CYP11B1CYP11B2
SCHEMBL30582756 0.84 CYP11B1 (1.00) RAB9ANPC1CYP11B1CYP11B2NAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103189061-A 4- (methylaminophenoxy) pyrdin- 3 - yl - benzamide derivatives for treating cancer OTSUKA PHARMA CO LTD 2013-07-03 — — CN claimed
WO-2023186102-A1 NAV1.8 INHIBITOR AND USE THEREOF 武汉人福创新药物研发中心有限公司 2023-10-05 — — WO disclosed
CN-103189061-A 4- (methylaminophenoxy) pyrdin- 3 - yl - benzamide derivatives for treating cancer OTSUKA PHARMA CO LTD 2013-07-03 — — CN disclosed
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