SCHEMBL31444652

SCHEMBL31444652

COC(=O)CCN1C(=O)COc2cc(N)ccc21

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.46
HSD17B10 Q99714 3/20 0.46
MAPT P10636 1/20 0.46
KMO O15229 1/20 0.46
POLB P06746 2/20 0.45
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
TP53 P04637 1/20 0.44
ALDH1A1 P00352 4/20 0.44
CYP3A4 P08684 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL31444632 0.86 PLK1 (0.50) TSHRHSD17B10MAPTKMOPOLB
SCHEMBL16526456 0.83 REN (0.45) TSHRHSD17B10KMOPOLB
SCHEMBL31444551 0.82 MAPT (0.46) TSHRHSD17B10MAPTKMOPOLB
SCHEMBL16522709 0.81 CHRM1 (0.47) TSHRKMOPOLBKMT2AMEN1
SCHEMBL16897914 0.80 TSHR (0.69) TSHRPOLBKMT2AMEN1TP53
SCHEMBL10530330 0.79 HTT (0.65) TSHRKMT2AMEN1ALDH1A1GAA
SCHEMBL18226834 0.78 CHRM1 (0.42) TSHRKMOPOLBALDH1A1
SCHEMBL328194 0.78 NOS3 (0.49) CYP3A4CYP2C19CYP2C9
SCHEMBL8127407 0.78 ATAD2 (0.56) TSHRKMT2AALDH1A1
SCHEMBL18264379 0.78 KMO (0.50) TSHRHSD17B10MAPTKMOPOLB

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-2025096710-A1 MODULATORS OF BCL6 AS LIGAND DIRECTED DEGRADERS BRISTOL-MYERS SQUIBB COMPANY (US) 2025-05-08 WO disclosed