SCHEMBL9476263

SCHEMBL9476263

CC1(C)N=C(c2ccccn2)c2cc(C=O)ccc2O1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.34
ALDH1A1 P00352 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
CTSD P07339 1/20 0.34
BACE1 P56817 1/20 0.34
KDM1A O60341 3/20 0.33
ADRA1A P35348 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
METAP1 P53582 2/20 0.32
ERN1 O75460 1/20 0.32
NPC1 O15118 3/20 0.32
RAB9A P51151 3/20 0.32
MAPT P10636 2/20 0.32
ATM Q13315 1/20 0.32
LMNA P02545 3/20 0.31
PKM P14618 2/20 0.31
TP53 P04637 2/20 0.31
MEN1 O00255 1/20 0.31
PLIN1 O60240 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL9476499 0.81 ADRA1A (0.47) KDM4EALDH1A1SMN1; SMN2CTSDBACE1
SCHEMBL9475729 0.80 KDM4E (0.39) KDM4EALDH1A1SMN1; SMN2ADRA1AMETAP1
SCHEMBL9476028 0.80 KDM4C (0.47) KDM4EPOLB
SCHEMBL9476447 0.79 CA9 (0.43) CTSDBACE1
SCHEMBL9476629 0.79 CHEK2 (0.42) KDM4EALDH1A1CTSDBACE1MAPT
SCHEMBL9475857 0.78 KDM4E (0.36) KDM4EALDH1A1SMN1; SMN2ADRA1ANPSR1
SCHEMBL9476040 0.78 CBFB (0.40) KDM4EALDH1A1SMN1; SMN2CTSDBACE1
SCHEMBL9483632 0.78 GABRA3 (0.46) KDM4EALDH1A1SMN1; SMN2CTSDBACE1
SCHEMBL9475451 0.78 CBFB (0.40) KDM4EALDH1A1SMN1; SMN2NPSR1NPC1
SCHEMBL9475150 0.78 METAP2 (0.40) KDM4EALDH1A1SMN1; SMN2NPSR1METAP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5270308-A Hypotensives TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-12-14 US disclosed
EP-0477789-A1 1,3-Benzoxazine derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1992-04-01 EP disclosed