SCHEMBL17550837

SCHEMBL17550837

CC(C)(C)OC(=O)N1CCN(c2cccnc2[N+](=O)[O-])CC1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.58
ALDH1A1 P00352 1/20 0.58
LMNA P02545 1/20 0.58
POLB P06746 1/20 0.53
GPR119 Q8TDV5 5/20 0.49
CKS1B P61024 2/20 0.47
SKP1 P63208 2/20 0.47
SKP2 Q13309 2/20 0.47
MET P08581 1/20 0.46
DTYMK P23919 1/20 0.46
KCNH2 Q12809 1/20 0.45
ACHE P22303 1/20 0.45
SMARCA2 P51531 1/20 0.44
SMARCA4 P51532 1/20 0.44
PBRM1 Q86U86 1/20 0.44
AKT1 P31749 1/20 0.44
KIT P10721 1/20 0.43
CCNT1 O60563 1/20 0.43
CDK9 P50750 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
SCHEMBL28974774 0.83 PRKCQ (0.48) MAPTALDH1A1LMNAPOLBGPR119
SCHEMBL30282831 0.83 PRKCQ (0.48) MAPTALDH1A1LMNAPOLBGPR119
SCHEMBL28974773 0.83 PRKCQ (0.48) MAPTALDH1A1LMNAPOLBGPR119
SCHEMBL22776812 0.82 MAPT (0.49) MAPTALDH1A1LMNAPOLBGPR119
SCHEMBL29741462 0.82 CYP1A2 (0.59) MAPTALDH1A1LMNAPOLBGPR119
SCHEMBL3336130 0.82 CYP1A2 (0.59) MAPTALDH1A1LMNAPOLBGPR119
SCHEMBL29963057 0.81 PRKCQ (0.43) MAPTALDH1A1LMNAPOLBGPR119
SCHEMBL22391780 0.81 POLB (0.58) MAPTALDH1A1LMNAPOLBGPR119
SCHEMBL10317314 0.81 POLB (0.58) MAPTALDH1A1LMNAPOLBGPR119
SCHEMBL28704879 0.80 ALDH1A1 (0.50) MAPTALDH1A1LMNAPOLBGPR119

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-2016030439-A1 METHOD OF PRODUCING PALBOCICLIB AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME RATIOPHARM GMBH (DE) 2016-03-03 WO disclosed