SCHEMBL8912343

SCHEMBL8912343

O=COCCc1c(F)cccc1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
MAPT P10636 4/20 0.40
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ABCG2 Q9UNQ0 1/20 0.40
MAPK1 P28482 2/20 0.40
POLB P06746 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
RECQL P46063 1/20 0.39
HSPB1 P04792 2/20 0.38
TDP1 Q9NUW8 4/20 0.38
ERN1 O75460 1/20 0.37
GPR35 Q9HC97 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 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
SCHEMBL8912340 0.81 ALDH1A1 (0.39) ALDH1A1MAPTLMNASMN1; SMN2ABCG2
SCHEMBL7644528 0.78 MAPT (0.40) ALDH1A1MAPTLMNASMN1; SMN2ABCG2
SCHEMBL27780340 0.78 MAPT (0.43) ALDH1A1MAPTLMNASMN1; SMN2ABCG2
SCHEMBL29401517 0.78 MAPT (0.43) ALDH1A1MAPTLMNASMN1; SMN2ABCG2
SCHEMBL7646920 0.78 GPR35 (0.46) ALDH1A1MAPTLMNASMN1; SMN2ABCG2
SCHEMBL29701589 0.78 GPR35 (0.46) ALDH1A1MAPTLMNASMN1; SMN2ABCG2
SCHEMBL16147716 0.78 MAPT (0.43) ALDH1A1MAPTLMNASMN1; SMN2ABCG2
SCHEMBL1967927 0.78 ALDH1A1 (0.53) ALDH1A1LMNASMN1; SMN2NPC1RAB9A
SCHEMBL27708037 0.78 MAPT (0.43) ALDH1A1MAPTLMNASMN1; SMN2ABCG2
SCHEMBL10537071 0.77 NPC1 (0.42) ALDH1A1MAPTLMNAMAPK1POLB

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