SCHEMBL27117672

SCHEMBL27117672

CC(C)c1cccc(C(C)C)c1OC(F)(F)F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNK3 O14649 1/20 0.43
▸ KCNK9 Q9NPC2 1/20 0.43
▸ GABRA1 P14867 3/20 0.43
▸ GABRG2 P18507 2/20 0.43
▸ GABRB3 P28472 2/20 0.43
▸ GABRB2 P47870 2/20 0.43
▸ TSHR P16473 2/20 0.43
▸ FAAH O00519 1/20 0.43
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ GABRB1 P18505 1/20 0.43
▸ PTGS1 P23219 1/20 0.43
▸ SLC6A2 P23975 1/20 0.43
▸ HTR2C P28335 1/20 0.43
▸ GABRA5 P31644 1/20 0.43
▸ GABRA3 P34903 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
SCHEMBL16956679 0.88 KCNK3 (0.40) KCNK3KCNK9GABRA1GABRG2GABRB3
SCHEMBL27052060 0.87 CYP1A2 (0.39) KCNK3KCNK9GABRA1GABRG2GABRB3
SCHEMBL16956678 0.87 KCNK3 (0.39) KCNK3KCNK9GABRA1GABRG2GABRB3
SCHEMBL16957453 0.84 KCNK3 (0.40) KCNK3KCNK9GABRA1GABRG2GABRB3
SCHEMBL16957456 0.82 GABRA1 (0.46) KCNK3KCNK9GABRA1GABRG2GABRB3
SCHEMBL16953764 0.82 KCNK3 (0.36) KCNK3KCNK9GABRA1GABRG2GABRB3
SCHEMBL16953767 0.82 KCNK3 (0.36) KCNK3KCNK9GABRA1GABRG2GABRB3
SCHEMBL22172284 0.80 GABRA1 (0.50) GABRA1GABRG2GABRB3GABRB2TSHR
SCHEMBL13408060 0.79 KCNK3 (0.45) KCNK3KCNK9GABRA1GABRG2GABRB3
SCHEMBL807278 0.77 KCNK3 (0.52) KCNK3KCNK9GABRA1GABRG2GABRB3

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-2024044486-A1 JAK2 INHIBITOR COMPOUNDS AJAX THERAPEUTICS, INC. (US) 2024-02-29 — — WO disclosed
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