SCHEMBL8912340

SCHEMBL8912340

O=[C]OCCc1c(F)cccc1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.39
MAPT P10636 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.39
MAPK1 P28482 2/20 0.39
POLB P06746 1/20 0.39
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
RECQL P46063 1/20 0.38
HSPB1 P04792 2/20 0.38
TDP1 Q9NUW8 4/20 0.37
HPGD P15428 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
GPR35 Q9HC97 1/20 0.36
MEN1 O00255 1/20 0.33
KMT2A Q03164 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
SCHEMBL8912343 0.81 ALDH1A1 (0.40) ALDH1A1MAPTSMN1; SMN2LMNAABCG2
SCHEMBL7644528 0.77 MAPT (0.40) ALDH1A1MAPTSMN1; SMN2LMNAABCG2
SCHEMBL29701589 0.76 GPR35 (0.46) ALDH1A1MAPTSMN1; SMN2LMNAABCG2
SCHEMBL7646920 0.76 GPR35 (0.46) ALDH1A1MAPTSMN1; SMN2LMNAABCG2
SCHEMBL27708037 0.76 MAPT (0.43) ALDH1A1MAPTSMN1; SMN2LMNAABCG2
SCHEMBL27780340 0.76 MAPT (0.43) ALDH1A1MAPTSMN1; SMN2LMNAABCG2
SCHEMBL1967926 0.76 ALDH1A1 (0.53) ALDH1A1MAPTMAPK1NPC1RAB9A
SCHEMBL10537071 0.76 NPC1 (0.42) ALDH1A1MAPTLMNAMAPK1POLB
SCHEMBL5067946 0.76 TDP1 (0.45) ALDH1A1SMN1; SMN2NPC1RAB9ARECQL
SCHEMBL3631146 0.75 KAT2B (0.46) ALDH1A1MAPTSMN1; SMN2LMNAABCG2

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
EP-0797580-A2 NUCLEOSIDE DERIVATIVES WITH PHOTOLABILE PROTECTIVE GROUPS Pfleiderer, Wolfgang (DE) 1997-10-01 EP disclosed
WO-1996018634-A2 NUCLEOSIDE DERIVATIVES WITH PHOTOLABILE PROTECTIVE GROUPS PFLEIDERER WOLFGANG (DE) 1996-06-20 WO disclosed