SCHEMBL24677051

SCHEMBL24677051

CN1CC(c2nc(C(F)(F)F)cs2)C1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.36
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
TRPV1 Q8NER1 3/20 0.34
SPR P35270 1/20 0.33
HCRTR2 O43614 7/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPK1 P28482 1/20 0.32
IDH1 O75874 1/20 0.32
HCRTR1 O43613 5/20 0.31
PLAT P00750 1/20 0.31
HTR2A P28223 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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 0.80 TRPV1 (0.41) LMNAPSEN1PSEN2APH1BNCSTN
SCHEMBL24677043 0.76 TRPV1 (0.35) LMNAPSEN1PSEN2APH1BNCSTN
SCHEMBL24677053 0.75 NR1H2 (0.40) HCRTR2KDM4EIDH1
SCHEMBL20271181 0.75 PSEN1 (0.39) LMNAPSEN1PSEN2APH1BNCSTN
SCHEMBL20270106 0.75 TRPV1 (0.39) LMNAPSEN1PSEN2APH1BNCSTN
SCHEMBL20270748 0.75 PSEN1 (0.36) LMNAPSEN1PSEN2APH1BNCSTN
SCHEMBL21314668 0.75 TRPV1 (0.39) LMNAPSEN1PSEN2APH1BNCSTN
SCHEMBL29754965 0.74 TRPV1 (0.37) LMNAPSEN1PSEN2APH1BNCSTN
SCHEMBL29754920 0.74 TRPV1 (0.35) LMNAPSEN1PSEN2APH1BNCSTN
SCHEMBL18711434 0.72 SPR (0.47) TRPV1SPRIDH1HTR2A

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