SCHEMBL27697910

SCHEMBL27697910

COC(=O)c1ccc(-c2cc(OC(F)(F)F)cs2)nc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ HPGDS O60760 3/20 0.41
▸ MRGPRX4 Q96LA9 1/20 0.41
▸ VNN1 O95497 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ ABL1 P00519 6/20 0.39
▸ BCR P11274 2/20 0.38
▸ SPR P35270 1/20 0.38
▸ CSNK2A2 P19784 1/20 0.38
▸ CSNK2A1 P68400 1/20 0.38
▸ ALPL P05186 1/20 0.37
▸ TLR7 Q9NYK1 1/20 0.37
▸ NOTUM Q6P988 2/20 0.36

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
SCHEMBL27718391 0.86 P4HA1 (0.46) L3MBTL1HPGDSMRGPRX4ABL1CSNK2A2
SCHEMBL28740679 0.79 LMNA (0.48) HPGDSMRGPRX4LMNA
SCHEMBL5128240 0.78 RXFP1 (0.56) MAPK1KDM4EL3MBTL1HPGDSMRGPRX4
SCHEMBL29651074 0.73 MAPK1 (0.69) MAPK1KDM4EL3MBTL1HPGDSSPR
SCHEMBL70712 0.73 MAPK1 (0.69) MAPK1KDM4EL3MBTL1HPGDSSPR
SCHEMBL29651058 0.73 MAPK1 (0.69) MAPK1KDM4EL3MBTL1HPGDSSPR
SCHEMBL7317667 0.72 HPGDS (0.57) MAPK1KDM4EL3MBTL1HPGDSLMNA
SCHEMBL27698017 0.72 DHODH (0.43) KDM4EL3MBTL1MRGPRX4ABL1TLR7
SCHEMBL34469486 0.72 ABL1 (0.54) MAPK1L3MBTL1MRGPRX4ABL1BCR
SCHEMBL2743634 0.70 BRAF (0.65) MAPK1KDM4EL3MBTL1MRGPRX4VNN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101151244-B Histamine H3 receptor agents, preparation and therapeutic uses LILLY CO ELI 2014-09-03 — — CN disclosed
CN-101151244-A Histamine H3 receptor agents, preparation and therapeutic uses LILLY CO ELI (US) 2008-03-26 — — CN disclosed
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