SCHEMBL9725698

SCHEMBL9725698

CC1(C)CN(c2ccccn2)c2cc([N+](=O)[O-])ccc2O1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.42
KDM4E B2RXH2 3/20 0.42
KMT2A Q03164 3/20 0.42
POLB P06746 3/20 0.42
LMNA P02545 2/20 0.42
MEN1 O00255 2/20 0.42
MITF O75030 1/20 0.42
CASP6 P55212 1/20 0.42
GAA P10253 3/20 0.41
ALDH1A1 P00352 3/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
BACE1 P56817 1/20 0.40
SLC11A2 P49281 1/20 0.39
L3MBTL1 Q9Y468 3/20 0.38
CYP1A2 P05177 1/20 0.38
AKR1B1 P15121 1/20 0.37
ROCK1 Q13464 1/20 0.37

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
SCHEMBL27414020 0.91 MAPT (0.42) MAPTKDM4EKMT2APOLBLMNA
SCHEMBL8798919 0.87 MAPT (0.38) MAPTKDM4EKMT2APOLBLMNA
SCHEMBL8798925 0.87 MAPT (0.38) MAPTKDM4EKMT2APOLBLMNA
SCHEMBL8798560 0.86 KMT2A (0.39) MAPTKDM4EKMT2APOLBLMNA
SCHEMBL27372688 0.84 CYP1A2 (0.44) MAPTKDM4EKMT2APOLBLMNA
SCHEMBL27373748 0.84 CYP1A2 (0.44) MAPTKDM4EKMT2APOLBLMNA
SCHEMBL8799087 0.83 MAPT (0.36) MAPTKDM4EKMT2APOLBLMNA
SCHEMBL27315485 0.83 GPR119 (0.41) KMT2APOLBMEN1ALDH1A1CYP1A2
SCHEMBL27315479 0.83 ALDH1A1 (0.42) MAPTKDM4EKMT2APOLBLMNA
SCHEMBL655542 0.82 MEN1 (0.40) KMT2APOLBMEN1ALDH1A1BACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4178375-A None JP disclosed
CN-1182838-C Intraorally soluble compressed molding and process for producing the same ֮����ҩ��ʽ���� 2005-01-05 CN disclosed
CN-1139878-A Intraorally soluble compressed molding and process for producing the same YAMANOUCHI PHARMA CO LTD (JP) 1997-01-08 CN disclosed
CN-1029479-C Process for preparing benzoxazine derivatives YAMANOUCHI PHARMACEUTICAL KK (JP) 1995-08-09 CN disclosed
CN-1100422-A Novel derivative of benoxazine and pharmaceutical composition containing same YAMANOUCHI PHARMA CO LTD (JP) 1995-03-22 CN disclosed
CN-1100423-A Novel derivative of benoxazine and pharmaceutical composition containing same YAMANOUCHI PHARMA CO LTD (JP) 1995-03-22 CN disclosed
JP-H04178375-A NEW BENZOXAZINE DERIVATIVE, INTERMEDIATE AND DRUG THEREOF YAMANOUCHI PHARMACEUT CO LTD 1992-06-25 JP disclosed