SCHEMBL23969852

SCHEMBL23969852

OC(CSc1nnc[nH]1)N(c1cccc(C(F)(F)F)c1)c1ccccn1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLQ O75417 1/20 0.33
▸ CETP P11597 2/20 0.33
▸ PNMT P11086 1/20 0.33
▸ CTSD P07339 2/20 0.33
▸ BACE1 P56817 2/20 0.33
▸ BACE2 Q9Y5Z0 2/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.32
▸ DAO P14920 1/20 0.32
▸ MAPT P10636 2/20 0.31
▸ TP53 P04637 1/20 0.31
▸ FAAH O00519 1/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ HTT P42858 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ GAA P10253 1/20 0.30
▸ ATM Q13315 1/20 0.30
▸ TLR7 Q9NYK1 1/20 0.30
▸ RXRA P19793 1/20 0.30
▸ RXRB P28702 1/20 0.30
▸ RXRG P48443 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
SCHEMBL18689418 0.79 POLQ (0.39) POLQCTSDBACE1BACE2MAPT
SCHEMBL7978950 0.62 POLQ (0.47) POLQCETPCTSDBACE1BACE2
SCHEMBL23969874 0.62 TP53 (0.34) MAPTTP53FAAHRXRARXRB
SCHEMBL19425667 0.62 LMNA (0.61) MAPTTP53ALDH1A1HTTTDP1
SCHEMBL4163668 0.62 POLQ (0.41) POLQCTSDBACE1BACE2MAPT
SCHEMBL23969932 0.61 RXRA (0.34) BACE1BACE2RXRARXRBRXRG
SCHEMBL26186724 0.60 TSHR (0.42) CETPPNMTALDH1A1
SCHEMBL18689406 0.59 SLC1A3 (0.54) MAPTTP53ALDH1A1HTTTDP1
SCHEMBL11172699 0.56 GRM5 (0.48) DAOMAPTALDH1A1HTTTDP1
SCHEMBL13338397 0.56 IDO1 (0.44) CETPPNMTTP53ALDH1A1ATM

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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