SCHEMBL31542121

SCHEMBL31542121

Cc1ccc(-c2ccccc2[N+](=O)[O-])c(C)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 1/20 0.56
▸ HSD17B10 Q99714 1/20 0.53
▸ EIF4E P06730 2/20 0.53
▸ SMN1; SMN2 Q16637 3/20 0.52
▸ MAPT P10636 2/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ NPC1 O15118 1/20 0.52
▸ ALPL P05186 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ TSHR P16473 4/20 0.52
▸ CYP3A4 P08684 1/20 0.52
▸ ALDH1A1 P00352 2/20 0.50
▸ TDP1 Q9NUW8 2/20 0.50
▸ LMNA P02545 2/20 0.48
▸ HPGD P15428 1/20 0.48
▸ HSD11B1 P28845 1/20 0.48
▸ MAPK1 P28482 1/20 0.46
▸ MGAM O43451 1/20 0.43
▸ GAA P10253 1/20 0.43

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
SCHEMBL10343079 0.86 MAOB (0.56) MAOBHSD17B10EIF4ESMN1; SMN2MAPT
SCHEMBL2360248 0.83 HSD17B10 (0.69) MAOBHSD17B10SMN1; SMN2TSHRCYP3A4
SCHEMBL30564320 0.83 HSD17B10 (0.69) MAOBHSD17B10SMN1; SMN2TSHRCYP3A4
SCHEMBL8142497 0.83 MAOB (0.53) MAOBHSD17B10EIF4ESMN1; SMN2MAPT
SCHEMBL17727815 0.83 HSD11B1 (0.59) MAOBHSD17B10EIF4ESMN1; SMN2MAPT
SCHEMBL12290279 0.83 TSHR (0.57) MAOBHSD17B10EIF4ESMN1; SMN2MAPT
SCHEMBL31903 0.83 HSD17B10 (0.50) MAOBHSD17B10EIF4ESMN1; SMN2MAPT
SCHEMBL8158755 0.82 HSD17B10 (0.49) MAOBHSD17B10SMN1; SMN2MAPTKMT2A
SCHEMBL32679870 0.81 HSD17B10 (0.55) MAOBHSD17B10SMN1; SMN2MAPTKMT2A
SCHEMBL11189916 0.79 TSHR (0.72) MAOBHSD17B10SMN1; SMN2MAPTKMT2A

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
CN-121574101-A Preparation method and application of quinazoline compound 厦门大学 2026-02-27 — — CN disclosed
CN-119639837-A Vortioxetine Process for the preparation of intermediates 广东东阳光药业股份有限公司 2025-03-18 — — CN disclosed
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