SCHEMBL31282139

SCHEMBL31282139

CSc1ccc(C)c([N+](=O)[O-])c1C

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.50
▸ TDP1 Q9NUW8 3/20 0.50
▸ TSHR P16473 7/20 0.44
▸ CYP3A4 P08684 3/20 0.40
▸ CCR2 P41597 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ HSD17B10 Q99714 2/20 0.35
▸ RECQL P46063 1/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ ACHE P22303 1/20 0.33
▸ MEN1 O00255 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
SCHEMBL3192684 0.79 ALDH1A1 (0.62) ALDH1A1TDP1TSHRCYP3A4SMN1; SMN2
SCHEMBL9814687 0.79 TSHR (0.46) ALDH1A1TDP1TSHRCYP3A4MAPT
SCHEMBL16952481 0.77 ALDH1A1 (0.67) ALDH1A1TDP1TSHRCYP3A4SMN1; SMN2
SCHEMBL4427648 0.76 ALDH1A1 (0.71) ALDH1A1TDP1TSHRCYP3A4SMN1; SMN2
SCHEMBL29303465 0.74 GRIN2D (0.40) ALDH1A1TDP1TSHRCCR2SMN1; SMN2
SCHEMBL31282878 0.74 GSTP1 (0.48) ALDH1A1TDP1TSHRCYP3A4SMN1; SMN2
SCHEMBL2946228 0.74 TSHR (0.59) ALDH1A1TDP1TSHRCYP3A4SMN1; SMN2
SCHEMBL30313551 0.74 TSHR (0.59) ALDH1A1TDP1TSHRCYP3A4SMN1; SMN2
SCHEMBL1199723 0.72 ALDH1A1 (0.54) ALDH1A1TDP1TSHRCYP3A4SMN1; SMN2
SCHEMBL5206322 0.72 ALDH1A1 (0.54) ALDH1A1TDP1TSHRCYP3A4SMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119371419-A PKMYT1 kinase inhibitors 杭州邦顺制药有限公司 2025-01-28 — — CN disclosed
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