SCHEMBL27346552

SCHEMBL27346552

Cc1nc(C(F)(F)F)ccc1SN1CC2CN(C(=O)OC(C)(C)C)CC2C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 1/20 0.38
▸ HSD11B1 P28845 1/20 0.38
▸ LIPE Q05469 2/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC2 Q92769 1/20 0.38
▸ RORC P51449 1/20 0.38
▸ IDH1 O75874 2/20 0.37
▸ IDH2 P48735 1/20 0.37
▸ JAK1 P23458 2/20 0.37
▸ PDE10A Q9Y233 2/20 0.36
▸ GPR119 Q8TDV5 2/20 0.36
▸ KCNK3 O14649 3/20 0.36
▸ KCNK9 Q9NPC2 3/20 0.36
▸ NAMPT P43490 1/20 0.36
▸ HDAC4 P56524 1/20 0.35
▸ OPRM1 P35372 1/20 0.35
▸ OPRD1 P41143 1/20 0.35
▸ OPRK1 P41145 1/20 0.35
▸ OGFRL1 Q5TC84 1/20 0.35
▸ JAK2 O60674 1/20 0.35

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
SCHEMBL27346656 0.83 PDE10A (0.37) NR1H2LIPEHDAC1HDAC2RORC
SCHEMBL26065733 0.83 SYK (0.38) RORCIDH1IDH2PDE10AGPR119
SCHEMBL30719549 0.81 NAMPT (0.44) NR1H2HSD11B1LIPEHDAC1HDAC2
SCHEMBL27346553 0.81 NAMPT (0.44) NR1H2HSD11B1LIPEHDAC1HDAC2
SCHEMBL27346908 0.79 NR1H2 (0.40) NR1H2LIPEHDAC1HDAC2RORC
SCHEMBL27345792 0.78 KDM4E (0.33) IDH1
SCHEMBL27346611 0.76 PDE2A (0.33) —
SCHEMBL26065251 0.76 CYP11B2 (0.37) RORCGPR119HDAC4
SCHEMBL26065392 0.76 CYP11B2 (0.37) RORCGPR119
SCHEMBL27346579 0.72 MAP3K12 (0.31) —

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-2024015503-A1 EMOPAMIL-BINDING PROTEIN INHIBITORS AND USES THEREOF BIOGEN MA INC. (US) 2024-01-18 — — WO disclosed
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