SCHEMBL9475729

SCHEMBL9475729

CC1(C)N=C(c2ccccn2)c2ccccc2O1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.39
LMNA P02545 3/20 0.39
CCR1 P32246 2/20 0.39
CCR5 P51681 2/20 0.39
CCR8 P51685 2/20 0.39
CYP1A2 P05177 1/20 0.39
POLB P06746 1/20 0.39
METAP1 P53582 1/20 0.39
BLM P54132 1/20 0.39
HIF1A Q16665 1/20 0.39
DOHH Q9BU89 1/20 0.39
P4HTM Q9NXG6 1/20 0.39
NPC1 O15118 6/20 0.36
RAB9A P51151 6/20 0.36
SMN1; SMN2 Q16637 5/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
PKM P14618 3/20 0.36
GAA P10253 3/20 0.36
MITF O75030 1/20 0.36
MAPT P10636 3/20 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
SCHEMBL9476499 0.83 ADRA1A (0.47) KDM4ELMNACCR1CCR5CCR8
SCHEMBL9475857 0.82 KDM4E (0.36) KDM4ELMNACCR1CCR5CCR8
SCHEMBL9476263 0.80 KDM4E (0.34) KDM4ELMNACCR1CCR5CCR8
SCHEMBL9483632 0.80 GABRA3 (0.46) KDM4ELMNACCR1CCR5CCR8
SCHEMBL9475150 0.80 METAP2 (0.40) KDM4EMETAP1SMN1; SMN2MAPTTP53
SCHEMBL9475451 0.80 CBFB (0.40) KDM4ELMNANPC1RAB9ASMN1; SMN2
SCHEMBL9476028 0.79 KDM4C (0.47) KDM4EPOLB
SCHEMBL9474750 0.78 NPC1 (0.36) KDM4ELMNACCR1CCR5CCR8
SCHEMBL9476629 0.78 CHEK2 (0.42) KDM4ECYP1A2MAPTHTTHSD17B10
SCHEMBL9476447 0.78 CA9 (0.43)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0477789-A1 1,3-Benzoxazine derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1992-04-01 EP claimed
JP-5097824-A None JP disclosed
US-5270308-A Hypotensives TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-12-14 US disclosed
JP-H0597824-A 1,3-BENZOXAZINE DERIVATIVE TAKEDA CHEM IND LTD 1993-04-20 JP disclosed
CN-1060467-A 1,3-benzoxazine derivatives, its production method and purposes TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1992-04-22 CN disclosed
EP-0477789-A1 1,3-Benzoxazine derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1992-04-01 EP disclosed