SCHEMBL31037652

SCHEMBL31037652

CC(C)(C)OC(=O)N1CCC(CNc2c([N+](=O)[O-])c(Cl)nc3ccccc23)CC1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.50
PKM P14618 1/20 0.50
BRD4 O60885 1/20 0.44
PRMT5 O14744 1/20 0.43
TGFBR1 P36897 2/20 0.43
ACACB O00763 2/20 0.43
ACACA Q13085 2/20 0.43
BCDIN3D Q7Z5W3 1/20 0.41
GPR119 Q8TDV5 2/20 0.41
HTR6 P50406 1/20 0.40
KDM1A O60341 1/20 0.40
GRIN2B Q13224 2/20 0.40
GBA1 P04062 1/20 0.40
STS P08842 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
LIMK2 P53671 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
SCHEMBL31037658 0.92 KDM4E (0.45) KDM4EPKMBRD4TGFBR1ACACB
SCHEMBL6837831 0.81 KDM4E (0.44) KDM4EPKMGPR119HTR6
SCHEMBL27213594 0.80 MET (0.46) KDM4E
SCHEMBL6923708 0.78 KDM4E (0.48) KDM4EPKMBRD4TGFBR1ACACB
SCHEMBL213119 0.77 KCNH3 (0.42) KDM4EPKMHTR6CYP2D6CYP2C9
SCHEMBL13793840 0.77 KDM4E (0.58) KDM4EPKMBRD4PRMT5TGFBR1
SCHEMBL843596 0.76 BCHE (0.49) BRD4ACACBACACA
SCHEMBL3863551 0.76 KDM4E (0.47) KDM4EPKMBRD4PRMT5TGFBR1
SCHEMBL29381474 0.75 EGFR (0.55) PKMBRD4ACACBACACA
SCHEMBL212541 0.75 EGFR (0.55) PKMBRD4ACACBACACA

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-2024138157-A1 NOVEL IMIDAZOQUINOLINES WITH IMMUNOSTIMULATORY EFFECTS SYNOVO GMBH (DE) 2024-06-27 WO disclosed