SCHEMBL21397260

SCHEMBL21397260

CC(C)(C)OC(=O)NC1CCN(c2ccc3c(c2)OCCO3)CC1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.47
KMT2A Q03164 1/20 0.46
CKS1B P61024 1/20 0.46
SKP1 P63208 1/20 0.46
SKP2 Q13309 1/20 0.46
KDM4D Q6B0I6 8/20 0.46
SUV39H2 Q9H5I1 1/20 0.45
ACACB O00763 1/20 0.45
PIM1 P11309 1/20 0.44
PIM3 Q86V86 1/20 0.44
PIM2 Q9P1W9 1/20 0.44
POLB P06746 1/20 0.43

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
SCHEMBL21397262 0.86 CKS1B (0.43) KMT2ACKS1BSKP1SKP2KDM4D
SCHEMBL21397173 0.84 CKS1B (0.48) MAPTCKS1BSKP1SKP2SUV39H2
SCHEMBL14892758 0.80 CKS1B (0.48) CKS1BSKP1SKP2SUV39H2PIM1
SCHEMBL27655935 0.80 SUV39H2 (0.54) MAPTCKS1BSKP1SKP2SUV39H2
SCHEMBL3130708 0.79 CKS1B (0.52) CKS1BSKP1SKP2SUV39H2PIM1
SCHEMBL32665409 0.79 ME3 (0.54) CKS1BSKP1SKP2SUV39H2PIM1
SCHEMBL3108407 0.78 CNR1 (0.55) MAPTKMT2ACKS1BSKP1SKP2
SCHEMBL5216885 0.78 CHRM4 (0.53) CKS1BSKP1SKP2KDM4DSUV39H2
SCHEMBL16682477 0.78 CKS1B (0.51) CKS1BSKP1SKP2SUV39H2PIM1
SCHEMBL17830852 0.78 CKS1B (0.61) KMT2ACKS1BSKP1SKP2PIM1

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-2019179362-A1 AMIDINE AND GUANIDINE DERIVATIVES, PREPARATION METHOD THEREFOR AND MEDICAL USES THEREOF 四川科伦博泰生物医药股份有限公司 2019-09-26 WO disclosed