SCHEMBL30730294

SCHEMBL30730294

COC(=O)C(C)n1ncc2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.42
RAB9A P51151 3/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
ELANE P08246 1/20 0.42
KMO O15229 2/20 0.40
TSHR P16473 2/20 0.40
POLB P06746 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
ASAH1 Q13510 2/20 0.39
HDAC8 Q9BY41 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
SLC22A12 Q96S37 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL30066427 0.83 KMT2A (0.50) NPC1RAB9AKMT2AMEN1ELANE
SCHEMBL4553548 0.83 KMT2A (0.50) NPC1RAB9AKMT2AMEN1ELANE
SCHEMBL18542560 0.78 HDAC8 (0.58) HDAC8
Oxalic Acid SCHEMBL14810479 0.76 KMO (0.46) NPC1RAB9AKMT2AMEN1ELANE
SCHEMBL8725006 0.76 KMO (0.43) NPC1RAB9AKMT2AMEN1ELANE
SCHEMBL14722845 0.76 RECQL (0.39) NPC1RAB9AKMT2AMEN1ELANE
SCHEMBL17269342 0.75 NPC1 (0.51) NPC1RAB9AKMT2AMEN1KMO
SCHEMBL29350890 0.75 RECQL (0.43) NPC1RAB9AKMT2AMEN1ELANE
SCHEMBL878425 0.75 RECQL (0.43) NPC1RAB9AKMT2AMEN1ELANE
SCHEMBL6281573 0.72 ELANE (0.40) NPC1RAB9AKMT2AMEN1ELANE

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
EP-4562015-A2 CDK2 INHIBITORS AND METHODS OF USING THE SAME Cedilla Therapeutics, Inc. (US) 2025-06-04 EP disclosed
WO-2024026481-A2 CDK2 INHIBITORS AND METHODS OF USING THE SAME CEDILLA THERAPEUTICS, INC. (US) 2024-02-01 WO disclosed