SCHEMBL31303085

SCHEMBL31303085

CCOC(=O)C(C)C1CCN(c2nc(Cl)cnc2Cl)CC1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.49
KMT2A Q03164 7/20 0.40
POLB P06746 1/20 0.40
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 4/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 5/20 0.39
HIF1A Q16665 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
LMNA P02545 1/20 0.38
RAB9A P51151 2/20 0.38
TSHR P16473 1/20 0.37
ALOX12 P18054 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MAPK1 P28482 1/20 0.37
CYP2C19 P33261 1/20 0.36
OPRK1 P41145 2/20 0.36
PTPN11 Q06124 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
SCHEMBL31303093 0.84 MAPT (0.67) MAPTKMT2APOLBALDH1A1KDM4E
SCHEMBL25295618 0.84 MAPT (0.67) MAPTKMT2APOLBALDH1A1KDM4E
SCHEMBL25259360 0.80 MAPT (0.50) MAPTKMT2APOLBALDH1A1KDM4E
SCHEMBL31303089 0.79 OGA (0.42) POLBALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL24485872 0.75 HTR3E (0.51) MAPTKMT2AALDH1A1KDM4EMEN1
SCHEMBL3539499 0.74 ACACB (0.43) MAPTKMT2APOLBALDH1A1KDM4E
SCHEMBL25251729 0.74 MAPT (0.41) MAPTKMT2APOLBALDH1A1KDM4E
SCHEMBL31303095 0.74 MAPT (0.41) MAPTKMT2APOLBALDH1A1KDM4E
SCHEMBL25255513 0.72 MAPT (0.46) MAPTKMT2APOLBALDH1A1KDM4E
SCHEMBL31303103 0.72 MAPT (0.46) MAPTKMT2APOLBALDH1A1KDM4E

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-119013265-A GLUT9 heterocyclic inhibitors for the treatment of disease 爱尔兰好利恩治疗有限公司 2024-11-22 CN disclosed