SCHEMBL28879354

SCHEMBL28879354

Cc1ccc(CN([SH](=O)=O)[SH](=O)=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PYCR1 P32322 1/20 0.44
▸ IDO1 P14902 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2A6 P11509 1/20 0.39
▸ TAAR1 Q96RJ0 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ CNR2 P34972 2/20 0.39
▸ ACHE P22303 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ AGXT P21549 1/20 0.38
▸ MCHR1 Q99705 1/20 0.38
▸ CNR1 P21554 1/20 0.38

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
SCHEMBL25546166 0.79 PYCR1 (0.47) PYCR1IDO1CYP2C19CYP1A2CYP2A6
SCHEMBL28879352 0.78 TSHR (0.54) PYCR1CYP2C19
SCHEMBL29268397 0.74 PYCR1 (0.39) PYCR1IDO1CYP2C19CNR2CNR1
SCHEMBL13049988 0.74 HRH3 (0.50) PYCR1IDO1CYP2C19CYP1A2CYP2A6
SCHEMBL3400632 0.74 HRH3 (0.50) PYCR1IDO1CYP2C19CYP1A2CYP2A6
SCHEMBL12374 0.72 HRH3 (0.67) PYCR1IDO1CYP2C19CYP1A2CYP2A6
SCHEMBL16312619 0.72 PYCR1 (0.65) PYCR1IDO1CYP2C19CYP1A2CYP2A6
Phosphine SCHEMBL25337730 0.70 HRH3 (0.64) PYCR1IDO1CYP2C19CYP1A2CYP2A6
Bromide SCHEMBL3671914 0.70 HRH3 (0.64) PYCR1IDO1CYP2C19CYP1A2CYP2A6
Hydrochloric Acid SCHEMBL28688142 0.70 HRH3 (0.64) PYCR1IDO1CYP2C19CYP1A2CYP2A6

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-115285951-B Preparation method and application of bis (fluorosulfonyl) imide salt electrolyte 江苏蓝固新能源科技有限公司 2022-12-16 — — CN disclosed
CN-115285951-A Preparation method and application of bis (fluorosulfonyl) imide salt electrolyte 江苏蓝固新能源科技有限公司 2022-11-04 — — CN disclosed
Send feedback