SCHEMBL23048255

SCHEMBL23048255

O=S(=O)(NC1CCOCC1)c1cccc(Br)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 4/20 0.57
CTSK P43235 4/20 0.57
CTSS P25774 3/20 0.56
CTSC P53634 3/20 0.56
CTSB P07858 1/20 0.56
HTR1A P08908 5/20 0.54
HTR7 P34969 5/20 0.54
ALDH1A1 P00352 5/20 0.49
LMNA P02545 3/20 0.49
HTT P42858 3/20 0.48
MAPK1 P28482 2/20 0.48
BRD4 O60885 2/20 0.47
MAPT P10636 1/20 0.46
BRD2 P25440 1/20 0.46
BRD3 Q15059 1/20 0.46
KMT2A Q03164 1/20 0.46
DCK P27707 1/20 0.46
KDM4E B2RXH2 2/20 0.45
HPGD P15428 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45

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
SCHEMBL15688099 0.89 CTSL (0.64) CTSLCTSKCTSSCTSCCTSB
SCHEMBL266924 0.86 HTT (0.64) CTSLCTSKCTSSCTSCCTSB
SCHEMBL31163204 0.86 HTT (0.64) CTSLCTSKCTSSCTSCCTSB
SCHEMBL3409484 0.86 CTSL (0.61) CTSLCTSKCTSSCTSCCTSB
SCHEMBL738542 0.85 HTT (0.67) CTSLCTSKCTSSCTSCCTSB
SCHEMBL3712567 0.83 CTSL (0.53) CTSLCTSKCTSSCTSCCTSB
SCHEMBL3917510 0.81 HTT (0.71) HTR1AHTR7ALDH1A1LMNAHTT
SCHEMBL18343804 0.81 KDM4E (0.56) CTSLCTSKCTSSCTSCCTSB
SCHEMBL29812078 0.79 MCHR1 (0.55) ALDH1A1LMNAMAPK1BRD4MAPT
SCHEMBL23052298 0.79 CTSL (0.64) CTSLCTSKCTSSCTSCCTSB

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
EP-3786156-A1 10H-PHENOTHIAZINE FERROPTOSIS INHIBITOR AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Chengdu Henghao Investment Co. Limited (CN) 2021-03-03 EP disclosed