SCHEMBL6992660

SCHEMBL6992660

CC1=C(N)Nc2cc(C(N)C(=O)OC(C)(C)CCc3cccc([N+](=O)[O-])c3)ccc2O1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE1C Q14123 1/20 0.35
NR3C2 P08235 1/20 0.35
MEN1 O00255 6/20 0.34
KMT2A Q03164 6/20 0.34
MAPT P10636 5/20 0.34
CYP1A2 P05177 4/20 0.34
CYP3A4 P08684 4/20 0.34
CYP2C9 P11712 4/20 0.34
CYP2C19 P33261 4/20 0.34
LMNA P02545 4/20 0.34
CYP2D6 P10635 2/20 0.34
TSHR P16473 2/20 0.34
NFKB1 P19838 2/20 0.34
THPO P40225 2/20 0.34
CACNA1F O60840 2/20 0.34
CACNA1D Q01668 2/20 0.34
CACNA1S Q13698 2/20 0.34
CACNA1C Q13936 2/20 0.34
ADORA3 P0DMS8 2/20 0.34
TDP1 Q9NUW8 2/20 0.34

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
SCHEMBL7001863 0.91 ALDH1A1 (0.33) MEN1KMT2AMAPTLMNAPOLB
SCHEMBL7003205 0.88 GRM2 (0.37) MEN1KMT2AMAPT
SCHEMBL8137237 0.87 ALOX5 (0.35)
SCHEMBL6994386 0.87 ALOX5 (0.31) MAPTFFAR1HIF1AMAPK1
SCHEMBL7001571 0.87 GRM2 (0.34) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL7002153 0.85 GRM2 (0.35) MEN1KMT2ATDP1
SCHEMBL6994308 0.84 CYP3A4 (0.32) CYP1A2CYP3A4CYP2C9CYP2C19LMNA
SCHEMBL6993302 0.84 ALOX5 (0.32)
SCHEMBL7000745 0.83 PARP1 (0.39) PDE1CNR3C2MEN1KMT2AMAPT
SCHEMBL7000917 0.83 AR (0.32) KMT2AMAPTCYP1A2CYP2C19CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1015437-B1 BENZOXAZINE AND BENZOTHIAZINE DERIVATIVES AND THEIR USE IN PHARMACEUTICALS SCHERING AG (DE) 2003-12-03 EP disclosed
EP-1015437-A1 BENZOXAZINE AND BENZOTHIAZINE DERIVATIVES AND THEIR USE IN PHARMACEUTICALS SCHERING AKTIENGESELLSCHAFT (DE) 2000-07-05 EP disclosed
WO-1999012915-A1 BENZOXAZINE AND BENZOTHIAZINE DERIVATIVES AND THEIR USE IN PHARMACEUTICALS SCHERING AKTIENGESELLSCHAFT (DE) 1999-03-18 WO disclosed