SCHEMBL26374604

SCHEMBL26374604

CN1CCCC2(CNC2=O)C1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
USP2 O75604 3/20 0.34
TSHR P16473 3/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
HSD17B10 Q99714 1/20 0.34
OTUD7B Q6GQQ9 2/20 0.33
EIF2AK4 Q9P2K8 2/20 0.33
CYP1A2 P05177 1/20 0.32
CRBN Q96SW2 1/20 0.32
CYP3A4 P08684 2/20 0.31
HIF1A Q16665 1/20 0.31
NEK2 P51955 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
SCHEMBL25049525 1.00 USP2 (0.34) USP2TSHRCYP2D6CYP2C9HSD17B10
SCHEMBL16562302 0.89 OTUD7B (0.39) OTUD7BCRBNNEK2
SCHEMBL16750994 0.84 OTUD7B (0.42) USP2TSHRCYP2D6CYP2C9HSD17B10
SCHEMBL24859554 0.84 OTUD7B (0.50) USP2TSHRCYP2D6CYP2C9HSD17B10
SCHEMBL14377176 0.84 OTUD7B (0.50) USP2TSHRCYP2D6CYP2C9HSD17B10
SCHEMBL16562318 0.80
SCHEMBL25049545 0.78 EIF2AK4 (0.30) EIF2AK4
SCHEMBL10062592 0.76 CHRM2 (0.42) OTUD7BNEK2
SCHEMBL12065328 0.75 GRIN1 (0.36) USP2TSHRCYP2D6CYP2C9HSD17B10
SCHEMBL25051605 0.74 EIF2AK4 (0.31) OTUD7BEIF2AK4

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-2023173016-A1 KRAS INHIBITORS FOR TREATING DISEASE BLOSSOMHILL THERAPEUTICS, INC. (US) 2023-09-14 WO disclosed