SCHEMBL9476372

SCHEMBL9476372

CC1(C)N=C(c2cccc[n+]2[O-])c2cc([N+](=O)[O-])ccc2O1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.36
ALDH1A1 P00352 3/20 0.35
CHRM1 P11229 1/20 0.35
PTPRC P08575 2/20 0.35
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
CES1 P23141 1/20 0.35
S100A4 P26447 1/20 0.35
MAPT P10636 4/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
HTT P42858 1/20 0.34
LMNA P02545 2/20 0.34
GABRA1 P14867 2/20 0.33
GABRG2 P18507 2/20 0.33
GABRB3 P28472 2/20 0.33
GABRA5 P31644 2/20 0.33
GABRA3 P34903 2/20 0.33
GPR3 P46089 1/20 0.33
MITF O75030 1/20 0.33

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
SCHEMBL9477622 0.84 KDM4E (0.32) L3MBTL1ALDH1A1CES1MAPTMEN1
SCHEMBL9475058 0.83 ESPL1 (0.38) L3MBTL1ALDH1A1MAPTMEN1KMT2A
SCHEMBL9475319 0.82 ABCC9 (0.31)
SCHEMBL9475563 0.82 CHRM1 (0.31) ALDH1A1CHRM1LMNAPDE4DCHRM2
SCHEMBL9476005 0.81 ALDH1A1 (0.35) L3MBTL1ALDH1A1MAPTMEN1KMT2A
SCHEMBL9476598 0.81 S100A4 (0.34) ALDH1A1S100A4MEN1KMT2ANR1H2
SCHEMBL9475663 0.81 ALOX5 (0.34) ALDH1A1PTPRCKMT2ANR1H2NR1H3
SCHEMBL9475850 0.80 ABCC9 (0.36) L3MBTL1ALDH1A1MAPTMEN1KMT2A
SCHEMBL9476803 0.80 ABCC9 (0.32)
SCHEMBL9475710 0.80 ABCC9 (0.41) CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1060467-A 1,3-benzoxazine derivatives, its production method and purposes TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1992-04-22 CN claimed
EP-0477789-A1 1,3-Benzoxazine derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1992-04-01 EP claimed
US-5270308-A Hypotensives TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-12-14 US 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