SCHEMBL23969874

SCHEMBL23969874

OC(CSc1nnc[nH]1)Nc1ccc(-c2cc(-c3ccccc3)cc(C(F)(F)F)c2)cc1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ SLC1A3 P43003 1/20 0.33
▸ SLC1A2 P43004 1/20 0.33
▸ SLC1A1 P43005 1/20 0.33
▸ KDR P35968 3/20 0.33
▸ P2RY14 Q15391 1/20 0.32
▸ TEK Q02763 2/20 0.32
▸ FAAH O00519 1/20 0.32
▸ RXRA P19793 3/20 0.32
▸ RXRB P28702 3/20 0.32
▸ RXRG P48443 3/20 0.32
▸ KIF11 P52732 2/20 0.32
▸ UBE2M P61081 1/20 0.31
▸ DCUN1D1 Q96GG9 1/20 0.31
▸ DHODH Q02127 1/20 0.30
▸ EGFR P00533 1/20 0.30
▸ FGFR1 P11362 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
SCHEMBL23969932 0.94 RXRA (0.34) KDRTEKRXRARXRBRXRG
SCHEMBL18688794 0.80 MAPT (0.50) TP53MAPTSLC1A3SLC1A2SLC1A1
SCHEMBL23969881 0.75 PPARG (0.31) —
SCHEMBL18689406 0.71 SLC1A3 (0.54) TP53MAPTSLC1A3SLC1A2SLC1A1
SCHEMBL18689403 0.70 MAPT (0.51) TP53MAPT
SCHEMBL20440877 0.68 CYP1A2 (0.37) MAPT
SCHEMBL18689399 0.67 MAPT (0.50) TP53MAPT
SCHEMBL18688798 0.64 KMT2A (0.51) TP53MAPT
SCHEMBL31093906 0.63 KIF11 (0.65) RXRARXRBRXRGKIF11DHODH
SCHEMBL23969852 0.62 POLQ (0.33) TP53MAPTFAAHRXRARXRB

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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