SCHEMBL24677043

SCHEMBL24677043

FC(F)(F)c1csc(C2COC2)n1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 3/20 0.35
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
IDH1 O75874 1/20 0.33
LMNA P02545 1/20 0.32
FABP4 P15090 1/20 0.31
FABP5 Q01469 1/20 0.31
SPR P35270 1/20 0.30
PLAT P00750 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
SCHEMBL25164697 0.83 TRPV1 (0.41) TRPV1PSEN1PSEN2APH1BNCSTN
SCHEMBL20270748 0.77 PSEN1 (0.36) TRPV1PSEN1PSEN2APH1BNCSTN
SCHEMBL20270106 0.77 TRPV1 (0.39) TRPV1PSEN1PSEN2APH1BNCSTN
SCHEMBL20271181 0.77 PSEN1 (0.39) TRPV1PSEN1PSEN2APH1BNCSTN
SCHEMBL21314668 0.77 TRPV1 (0.39) TRPV1PSEN1PSEN2APH1BNCSTN
SCHEMBL24677051 0.76 LMNA (0.36) TRPV1PSEN1PSEN2APH1BNCSTN
SCHEMBL24676081 0.73 IDH1 (0.36) TRPV1PSEN1PSEN2APH1BNCSTN
SCHEMBL24676492 0.72 TRPV1 (0.36) TRPV1PSEN1PSEN2APH1BNCSTN
Hydrochloric Acid SCHEMBL12540285 0.72 TRPV1 (0.41) TRPV1PSEN1PSEN2APH1BNCSTN
SCHEMBL24676000 0.72 OGA (0.40) TRPV1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022155941-A1 CDK2 INHIBITORS QILU REGOR THERAPEUTICS INC. (CN) 2022-07-28 WO disclosed
WO-2022155941-A1 CDK2 INHIBITORS QILU REGOR THERAPEUTICS INC. (CN) 2022-07-28 WO disclosed