SCHEMBL24676877

SCHEMBL24676877

OC1CCCC1c1nc(C(F)(F)F)cs1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.33
IDH1 O75874 1/20 0.33
TRPV1 Q8NER1 3/20 0.33
LCAT P04180 2/20 0.32
ATAD2 Q6PL18 1/20 0.32
FABP4 P15090 1/20 0.31
FABP5 Q01469 1/20 0.31
FLT3 P36888 1/20 0.30
TYRO3 Q06418 1/20 0.30
MERTK Q12866 1/20 0.30
GAS6 Q14393 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
SCHEMBL24676716 0.76 RAB9A (0.39)
SCHEMBL25164697 0.74 TRPV1 (0.41) IDH1TRPV1LCATFABP4FABP5
SCHEMBL24676720 0.73
SCHEMBL20270106 0.72 TRPV1 (0.39) IDH1TRPV1LCATFABP4FABP5
SCHEMBL21314668 0.72 TRPV1 (0.39) IDH1TRPV1LCATFABP4FABP5
SCHEMBL29754886 0.72 TRPV1 (0.43) IDH1TRPV1LCATFABP4FABP5
SCHEMBL29754880 0.72 TRPV1 (0.43) IDH1TRPV1LCATFABP4FABP5
SCHEMBL25006020 0.69 LMNA (0.35) IDH1TRPV1FLT3TYRO3MERTK
SCHEMBL25005428 0.69 IDH1 (0.33) IDH1TRPV1
SCHEMBL24677043 0.67 TRPV1 (0.35) IDH1TRPV1FABP4FABP5

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