SCHEMBL30009059

SCHEMBL30009059

CC1CC(C(=O)c2ccccc2)c2ccccc2N(Cc2ccccc2)C1=O

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.53
MEN1 O00255 3/20 0.53
POLB P06746 1/20 0.53
CACNA1G O43497 3/20 0.50
CACNA1H O95180 3/20 0.50
CACNA1I Q9P0X4 3/20 0.50
EP300 Q09472 1/20 0.50
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
TSHR P16473 2/20 0.41
BRD4 O60885 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
CCKBR P32239 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
SCHEMBL30009942 0.77 BRD4 (0.53) CACNA1GCACNA1HCACNA1IBRD4
SCHEMBL6825068 0.74 CACNA1G (0.55) KMT2AMEN1POLBCACNA1GCACNA1H
SCHEMBL30009284 0.72 KMT2A (0.49) KMT2AMEN1ALDH1A1CRHBPCRHR2
SCHEMBL29385257 0.72 MEN1 (0.61) KMT2AMEN1POLBCACNA1GCACNA1H
SCHEMBL38661561 0.72 PARK7 (0.52) KMT2AMEN1POLBCACNA1GCACNA1H
SCHEMBL7611369 0.72 ALDH1A1 (0.77) KMT2AMEN1POLBCACNA1GCACNA1H
SCHEMBL7611374 0.72 ALDH1A1 (0.77) KMT2AMEN1POLBCACNA1GCACNA1H
SCHEMBL30489292 0.71 POLB (0.55) KMT2AMEN1POLBALDH1A1
SCHEMBL28995159 0.71 POLB (0.55) KMT2AMEN1POLBALDH1A1
SCHEMBL30009368 0.70 MAPT (0.38) KMT2AMEN1BRD4

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-115141212-A Synthetic method of benzoazacyclo skeleton containing oxygen bridged ring 南通大学 2022-10-04 CN disclosed