SCHEMBL9227608

SCHEMBL9227608

CCC(=O)Nc1ccccc1C[S+]([O-])c1ncc[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
CASP1 P29466 1/20 0.41
HSD17B10 Q99714 1/20 0.41
THRB P10828 1/20 0.40
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37
POLB P06746 2/20 0.36
LMNA P02545 1/20 0.36
HTR1A P08908 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
NPC1 O15118 2/20 0.36

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
SCHEMBL9011902 0.82 AR (0.36) POLBHTR1ATAAR1NPC1RAB9A
SCHEMBL9012162 0.81 TAAR1 (0.35) HTR1ATAAR1
SCHEMBL8517908 0.79 ADRA2A (0.33) HTR1ATAAR1
SCHEMBL9011918 0.78 ADRA2A (0.32) HTR1ATAAR1
SCHEMBL6483558 0.76 ADRA2A (0.31) TAAR1
SCHEMBL6528639 0.76 IDO1 (0.33) POLBTAAR1
SCHEMBL9012324 0.75 PDE3B (0.31)
SCHEMBL9012315 0.75 BACE1 (0.42) TSHRHSD17B10TAAR1ALDH1A1KMT2A
SCHEMBL6475931 0.74 UTS2R (0.40) HSD17B10ALDH1A1SMN1; SMN2KMT2AALOX15
SCHEMBL9012386 0.74

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
EP-0354788-B1 Novel imidazole derivatives NIPPON CHEMIPHAR CO (JP) 1995-09-13 EP disclosed
EP-0354788-A1 Novel imidazole derivatives NIPPON CHEMIPHAR CO., LTD. (JP) 1990-02-14 EP disclosed