SCHEMBL30872608

SCHEMBL30872608

c1cnn(-c2ccc(C3OCCO3)cc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.53
MAPK1 P28482 2/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
HDAC4 P56524 1/20 0.46
CHRNA7 P36544 1/20 0.42
CHRNA10 Q9GZZ6 1/20 0.42
CHRNA9 Q9UGM1 1/20 0.42
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.39
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
NPC1 O15118 1/20 0.38
MTOR P42345 1/20 0.37
MAPT P10636 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CCNB2 O95067 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
SCHEMBL23352227 0.80 KDM4E (0.40) NOTUMMAPK1KDM4EALDH1A1HDAC4
SCHEMBL20168114 0.80 CHRNA7 (0.52) KDM4EALDH1A1CHRNA7LMNAHTT
SCHEMBL4341894 0.79 NOTUM (0.78) NOTUMMAPK1KDM4EALDH1A1HDAC4
SCHEMBL20504631 0.79 NOTUM (0.56) NOTUMMAPK1KDM4EALDH1A1HDAC4
SCHEMBL12969407 0.79 NOTUM (0.45) NOTUMMAPK1KDM4EALDH1A1HDAC4
SCHEMBL6206765 0.79 NOTUM (0.45) NOTUMMAPK1KDM4EALDH1A1HDAC4
SCHEMBL28862451 0.76 NOTUM (0.53) NOTUMMAPK1KDM4EALDH1A1HDAC4
SCHEMBL22817092 0.76 NOTUM (0.49) NOTUMMAPK1KDM4EALDH1A1HDAC4
SCHEMBL7425143 0.75 NOTUM (0.51) NOTUMMAPK1KDM4EALDH1A1HDAC4
SCHEMBL24877382 0.75 NOTUM (0.51) NOTUMMAPK1KDM4EALDH1A1HDAC4

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
CN-117715904-A CDK2 degrading agents and uses thereof 凯麦拉医疗公司 2024-03-15 CN disclosed