SCHEMBL9711515

SCHEMBL9711515

COc1ccccc1C1CC(=O)C(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C(=O)N1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
HPGD P15428 3/20 0.41
MAPK1 P28482 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALDH1A1 P00352 3/20 0.39
LMNA P02545 2/20 0.39
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
FDFT1 P37268 1/20 0.37
CACNA1S Q13698 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP2C19 P33261 2/20 0.36
G6PD P11413 1/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
FAAH O00519 1/20 0.36
BCHE P06276 1/20 0.36
ACHE P22303 1/20 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
SCHEMBL9711575 0.85 NPC1 (0.43) MAPTHPGDMAPK1ALDH1A1LMNA
SCHEMBL9711481 0.78 SMN1; SMN2 (0.41) HPGDMAPK1ALDH1A1LMNANPC1
SCHEMBL9711475 0.78 TRPV1 (0.42) MAPTHPGDMAPK1ALDH1A1LMNA
SCHEMBL9711484 0.78 MAPT (0.40) MAPTHPGDMAPK1TDP1ALDH1A1
SCHEMBL8980327 0.75 CYP2C19 (0.40) MAPTHPGDALDH1A1LMNANPC1
SCHEMBL9711611 0.73 HPD (0.49) HPGDMAPK1ALDH1A1LMNANPC1
SCHEMBL9711499 0.72 KMT2A (0.40) MAPTALDH1A1ACHE
SCHEMBL9229472 0.72 SMN1; SMN2 (0.44) HPGDALDH1A1LMNASMN1; SMN2CYP2C19
SCHEMBL9711617 0.71 HPGD (0.47) MAPTHPGDMAPK1ALDH1A1NPC1
SCHEMBL10584273 0.71 HPD (0.44) MAPTHPGDALDH1A1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5114461-A Herbicides MAY & BAKER LIMITED (GB) 1992-05-19 US disclosed
EP-0278742-A2 Cyclic diones MAY & BAKER LIMITED (GB) 1988-08-17 EP disclosed