SCHEMBL31474641

SCHEMBL31474641

Cc1cccc(C)c1C[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.52
ALDH1A1 P00352 3/20 0.52
TSHR P16473 6/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HSD17B10 Q99714 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.40
ACHE P22303 3/20 0.38
KAT2B Q92831 1/20 0.36
AR P10275 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2A6 P11509 1/20 0.35
LMNA P02545 1/20 0.34
MGAM O43451 1/20 0.34
GAA P10253 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
POLB P06746 1/20 0.34
HPGD P15428 1/20 0.34
CA1 P00915 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
SCHEMBL27803290 0.82 TSHR (0.50) TDP1ALDH1A1TSHRSMN1; SMN2HSD17B10
SCHEMBL701265 0.76 HSD17B10 (0.48) TDP1ALDH1A1TSHRSMN1; SMN2HSD17B10
SCHEMBL28475727 0.73 MAPT (0.38) TDP1ALDH1A1TSHRSMN1; SMN2AR
SCHEMBL2056817 0.73 TDP1 (0.38) TDP1ALDH1A1TSHRSMN1; SMN2HSD17B10
SCHEMBL9319797 0.73 TDP1 (0.54) TDP1ALDH1A1TSHRSMN1; SMN2HSD17B10
SCHEMBL10106284 0.72 TSHR (0.62) TDP1ALDH1A1TSHRSMN1; SMN2HSD17B10
SCHEMBL13236484 0.71 TSHR (0.60) TDP1ALDH1A1TSHRSMN1; SMN2HSD17B10
SCHEMBL16942548 0.70 TSHR (0.38) TDP1ALDH1A1TSHR
SCHEMBL11863298 0.70 TDP1 (0.58) TDP1ALDH1A1TSHRSMN1; SMN2HSD17B10
SCHEMBL3961070 0.70 TSHR (0.58) TDP1ALDH1A1TSHRSMN1; SMN2HSD17B10

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119701936-A Catalyst for preparing phenylhydroxylamine compound and process method 西安凯立新材料股份有限公司 2025-03-28 CN disclosed