SCHEMBL23969932

SCHEMBL23969932

OC(CSc1nnc[nH]1)Nc1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 3/20 0.34
▸ RXRB P28702 3/20 0.34
▸ RXRG P48443 3/20 0.34
▸ KDR P35968 1/20 0.33
▸ PSEN1 P49768 4/20 0.32
▸ PSEN2 P49810 4/20 0.32
▸ APH1B Q8WW43 4/20 0.32
▸ NCSTN Q92542 4/20 0.32
▸ APH1A Q96BI3 4/20 0.32
▸ PSENEN Q9NZ42 4/20 0.32
▸ TEK Q02763 2/20 0.32
▸ SYK P43405 1/20 0.31
▸ BACE1 P56817 1/20 0.31
▸ BACE2 Q9Y5Z0 1/20 0.31
▸ CYP2D6 P10635 3/20 0.30
▸ ICMT O60725 1/20 0.30
▸ EPHB4 P54760 1/20 0.30

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
SCHEMBL23969874 0.94 TP53 (0.34) RXRARXRBRXRGKDRTEK
SCHEMBL20440876 0.79 NPC1 (0.37) CYP2D6
SCHEMBL23969881 0.76 PPARG (0.31) —
SCHEMBL18688794 0.73 MAPT (0.50) —
SCHEMBL18689406 0.69 SLC1A3 (0.54) TEK
SCHEMBL18689403 0.61 MAPT (0.51) —
SCHEMBL18689398 0.61 POLB (0.50) —
SCHEMBL18689411 0.61 THRB (0.49) —
SCHEMBL15734002 0.59 RXRA (0.47) RXRARXRBRXRGKDRPSEN1
SCHEMBL21063858 0.59 LMNA (0.43) CYP2D6

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
EP-3353156-B1 TEAD TRANSCRIPTION FACTOR AUTOPALMITOYLATION INHIBITORS MASSACHUSETTS GEN HOSPITAL (US) 2021-11-03 — — EP disclosed
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