SCHEMBL8303930

SCHEMBL8303930

Cc1c(F)cccc1NC(=O)c1ccc([N+](=O)[O-])c([N+](=O)[O-])c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 3/20 0.57
▸ SMN1; SMN2 Q16637 5/20 0.56
▸ RAB9A P51151 3/20 0.56
▸ NPC1 O15118 2/20 0.56
▸ GAA P10253 2/20 0.56
▸ MAPK1 P28482 1/20 0.56
▸ ALDH1A1 P00352 3/20 0.53
▸ MAPT P10636 3/20 0.52
▸ LMNA P02545 1/20 0.52
▸ HTT P42858 1/20 0.52
▸ MEN1 O00255 4/20 0.51
▸ KMT2A Q03164 4/20 0.51
▸ CTDSP1 Q9GZU7 1/20 0.51
▸ CYP1A2 P05177 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ HPGD P15428 1/20 0.48
▸ AKR1C2 P52895 1/20 0.48
▸ AKR1C1 Q04828 1/20 0.48

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
SCHEMBL8305318 0.80 MAPT (0.57) POLBSMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL8521515 0.78 MEN1 (0.60) POLBSMN1; SMN2RAB9ANPC1GAA
SCHEMBL28092071 0.78 MAPT (0.67) POLBSMN1; SMN2RAB9ANPC1GAA
SCHEMBL2306801 0.77 MAPT (0.56) POLBSMN1; SMN2RAB9ANPC1GAA
SCHEMBL8305753 0.77 SMN1; SMN2 (0.74) POLBSMN1; SMN2RAB9ANPC1GAA
SCHEMBL8307686 0.77 ALOX5 (0.68) POLBSMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL1454743 0.76 MAPT (0.70) SMN1; SMN2RAB9AALDH1A1MAPTLMNA
SCHEMBL8308004 0.76 MEN1 (0.69) SMN1; SMN2GAAALDH1A1MAPTMEN1
SCHEMBL8306313 0.75 AKR1C2 (0.65) POLBSMN1; SMN2ALDH1A1MAPTLMNA
SCHEMBL4728442 0.75 NPC1 (0.58) POLBSMN1; SMN2RAB9ANPC1ALDH1A1

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-0934068-A1 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 1999-08-11 — — EP disclosed
WO-1998009630-A1 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 1998-03-12 — — WO disclosed
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