SCHEMBL9538701

SCHEMBL9538701

CCSc1cccc([N+](=O)[O-])c1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.58
ERN1 O75460 1/20 0.47
TDP1 Q9NUW8 5/20 0.44
MAPT P10636 3/20 0.43
LMNA P02545 2/20 0.43
CRHBP P24387 2/20 0.42
CRHR2 Q13324 2/20 0.42
L3MBTL1 Q9Y468 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP1A2 P05177 1/20 0.41
GLA P06280 1/20 0.41
POLB P06746 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
RECQL P46063 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41

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 0.82 MEN1 (0.53) TDP1MAPTLMNAL3MBTL1MEN1
SCHEMBL2461665 0.81 GPR35 (0.64) GPR35ERN1TDP1MAPTCRHBP
SCHEMBL201556 0.78 GABRA1 (0.48) LMNAL3MBTL1ALDH1A1TSHRHSD17B10
SCHEMBL9538353 0.78 ALDH1A1 (0.45) GPR35TDP1MAPTLMNAL3MBTL1
SCHEMBL15452483 0.77 TDP1 (0.52) GPR35TDP1MAPTL3MBTL1RECQL
SCHEMBL10782520 0.77 GPR35 (0.51) GPR35TDP1MAPTLMNAL3MBTL1
SCHEMBL9539174 0.77 ALDH1A1 (0.49) TDP1MAPTLMNAL3MBTL1MEN1
SCHEMBL1398094 0.76 ALDH1A1 (0.43) GPR35TDP1MAPTLMNAL3MBTL1
SCHEMBL1077970 0.75 GPR35 (1.00) GPR35ERN1TDP1MAPTCRHBP
SCHEMBL4854222 0.75 GPR35 (0.67) GPR35ERN1TDP1MAPTCRHBP

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