SCHEMBL28866767

SCHEMBL28866767

NSCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.62
LOXL2 Q9Y4K0 1/20 0.61
CYP2C19 P33261 2/20 0.59
CYP1A2 P05177 1/20 0.59
CYP2C9 P11712 1/20 0.59
TSHR P16473 1/20 0.52
ALDH1A1 P00352 3/20 0.50
MAPT P10636 2/20 0.50
BCHE P06276 1/20 0.50
ACHE P22303 1/20 0.50
GFER P55789 1/20 0.49
LMNA P02545 1/20 0.49
POLB P06746 1/20 0.48

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
SCHEMBL3244320 0.83 CYP2C19 (0.63) IDO1LOXL2CYP2C19CYP1A2CYP2C9
SCHEMBL1035377 0.83 CYP2C19 (0.81) IDO1LOXL2CYP2C19CYP1A2CYP2C9
SCHEMBL7244787 0.81 CYP2C19 (0.79) IDO1LOXL2CYP2C19CYP1A2CYP2C9
SCHEMBL4266569 0.79 CYP2C19 (0.59) IDO1LOXL2CYP2C19CYP1A2CYP2C9
SCHEMBL513721 0.79 CYP2C19 (0.59) IDO1LOXL2CYP2C19CYP1A2CYP2C9
SCHEMBL513720 0.79 CYP2C19 (0.59) IDO1LOXL2CYP2C19CYP1A2CYP2C9
SCHEMBL8014656 0.79 CYP2C19 (0.59) IDO1LOXL2CYP2C19CYP1A2CYP2C9
SCHEMBL7489100 0.78 CYP2C19 (0.58) IDO1LOXL2CYP2C19CYP1A2CYP2C9
SCHEMBL6562091 0.77 IDO1 (0.75) IDO1LOXL2CYP2C19CYP1A2CYP2C9
SCHEMBL1708732 0.77 IDO1 (1.00) IDO1LOXL2CYP1A2ALDH1A1MAPT

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-115219644-B By H2Activity evaluation device and method for S-prepared aryl thioamide catalyst 福州大学 2025-01-24 CN disclosed
CN-115219644-A By means of H 2 Activity evaluation device and method for S-prepared aryl thioamide catalyst 福州大学 2022-10-21 CN disclosed