SCHEMBL27166306

SCHEMBL27166306

COC(=O)c1cnn(-c2ccc(C3OCCO3)cc2)c1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
HPGDS O60760 1/20 0.41
ALKBH2 Q6NS38 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPKAPK2 P49137 1/20 0.40
HSD11B1 P28845 1/20 0.40

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
SCHEMBL25123042 0.84 ALKBH2 (0.60) HPGDSALKBH2HSD11B1
SCHEMBL25123222 0.81 NPC1 (0.38) NPC1RAB9ASMN1; SMN2HPGDSALKBH2
SCHEMBL7325573 0.79 CA12 (0.53) NPC1RAB9ASMN1; SMN2HPGDSALKBH2
SCHEMBL2360322 0.79 NPC1 (0.71) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL7322694 0.78 MAPKAPK2 (0.48) NPC1RAB9ASMN1; SMN2HPGDSALKBH2
SCHEMBL8085746 0.78 HPGDS (0.68) NPC1RAB9ASMN1; SMN2HPGDSALKBH2
SCHEMBL7320411 0.77 ALDH1A1 (0.49) NPC1RAB9ASMN1; SMN2HPGDSALKBH2
SCHEMBL7326021 0.76 ALDH1A1 (0.48) NPC1RAB9ASMN1; SMN2HPGDSALKBH2
SCHEMBL7320665 0.76 ALDH1A1 (0.57) NPC1RAB9ASMN1; SMN2HPGDSALKBH2
SCHEMBL7323051 0.76 HPGDS (0.45) NPC1RAB9ASMN1; SMN2HPGDSALKBH2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117715904-A CDK2 degrading agents and uses thereof 凯麦拉医疗公司 2024-03-15 CN disclosed
EP-4334307-A1 CDK2 DEGRADERS AND USES THEREOF Kymera Therapeutics, Inc. (US) 2024-03-13 EP disclosed
WO-2022236058-A1 CDK2 DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2022-11-10 WO disclosed