SCHEMBL9538353

SCHEMBL9538353

CCSc1cccc([N+](=O)[O-])c1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.45
TDP1 Q9NUW8 6/20 0.45
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
KMT2A Q03164 3/20 0.41
MAPT P10636 6/20 0.41
PKM P14618 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
RECQL P46063 2/20 0.40
LMNA P02545 4/20 0.40
MEN1 O00255 2/20 0.40
GAA P10253 1/20 0.40
ALPG P10696 1/20 0.40
MAPK1 P28482 1/20 0.39
POLB P06746 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 2/20 0.39
GPR35 Q9HC97 1/20 0.38
HTR1A P08908 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
SCHEMBL3386571 0.80 MEN1 (0.53) ALDH1A1TDP1NPC1RAB9ASMN1; SMN2
SCHEMBL358770 0.79 TDP1 (0.61) ALDH1A1TDP1NPC1RAB9ASMN1; SMN2
SCHEMBL9538701 0.78 GPR35 (0.58) ALDH1A1TDP1SMN1; SMN2KMT2AMAPT
SCHEMBL14228270 0.77 ALDH1A1 (0.50) ALDH1A1TDP1NPC1RAB9ASMN1; SMN2
SCHEMBL25161887 0.74 TDP1 (0.55) ALDH1A1TDP1NPC1RAB9ASMN1; SMN2
SCHEMBL15452483 0.74 TDP1 (0.52) ALDH1A1TDP1NPC1RAB9ASMN1; SMN2
SCHEMBL2088309 0.74 TDP1 (0.71) ALDH1A1TDP1NPC1RAB9ASMN1; SMN2
SCHEMBL31119224 0.74 TDP1 (0.71) ALDH1A1TDP1NPC1RAB9ASMN1; SMN2
SCHEMBL31119225 0.74 TDP1 (0.71) ALDH1A1TDP1NPC1RAB9ASMN1; SMN2
SCHEMBL5678530 0.74 ALDH1A1 (0.61) ALDH1A1TDP1NPC1RAB9ASMN1; SMN2

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
WO-1993005012-A1 NEW COMPOUNDS AB ASTRA (SE) 1993-03-18 WO disclosed
EP-0530166-A2 3-Hydroxy anthranilic acid derivatives for inhibiting 3-hydroxy anthranilate oxygenase Astra Aktiebolag (SE) 1993-03-03 EP disclosed