SCHEMBL7302767

SCHEMBL7302767

CCOC(=O)N(CCCCCl)c1cc([N+](=O)[O-])ccc1C(=O)OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.45
ALDH1A1 P00352 5/20 0.40
TDP1 Q9NUW8 2/20 0.40
MAPT P10636 6/20 0.39
POLB P06746 2/20 0.39
MAPK1 P28482 2/20 0.39
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
TP53 P04637 2/20 0.39
HPGD P15428 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
HIF1A Q16665 3/20 0.38
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
LMNA P02545 2/20 0.38
GPR55 Q9Y2T6 1/20 0.38
CYP2D6 P10635 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL7302756 0.92 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1TDP1MAPTPOLB
SCHEMBL7299287 0.83 ALDH1A1 (0.40) SMN1; SMN2ALDH1A1TDP1MAPTMAPK1
SCHEMBL28560557 0.80 TP53 (0.55) SMN1; SMN2ALDH1A1TDP1MAPTPOLB
SCHEMBL7298114 0.78 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1TDP1MAPTPOLB
SCHEMBL7298911 0.77 ALDH1A1 (0.40) SMN1; SMN2ALDH1A1TDP1MAPTKMT2A
SCHEMBL7298470 0.77 ALDH1A1 (0.40) SMN1; SMN2ALDH1A1TDP1MAPTMAPK1
SCHEMBL6578971 0.76 POLB (0.40) SMN1; SMN2ALDH1A1TDP1MAPTPOLB
SCHEMBL6577291 0.75 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1TDP1MAPTPOLB
SCHEMBL28575267 0.75 MAPT (0.39) SMN1; SMN2ALDH1A1MAPTKMT2ATP53
SCHEMBL6579295 0.74 ALDH1A1 (0.48) SMN1; SMN2ALDH1A1TDP1MAPTPOLB

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
US-5304560-A Treating CNS disorders; dopamine receptor antagonist FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-04-19 US disclosed
CN-1060841-A Quinazoline derivant and preparation method thereof FUJISAWA PHARMACEUTICAL CO (JP) 1992-05-06 CN disclosed
EP-0481342-A1 Quinazoline derivatives and their preparation FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-04-22 EP disclosed