SCHEMBL28624938

SCHEMBL28624938

O=C(c1ccc(C(F)(F)F)cc1)N1c2ccccc2Sc2ccccc21

nearest known ligand 0.69

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BCHE P06276 13/20 0.69
ACHE P22303 5/20 0.69
SLC6A3 Q01959 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
HPGD P15428 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50

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
SCHEMBL343497 0.82 BCHE (1.00) BCHEACHESLC6A3SMN1; SMN2HPGD
SCHEMBL28621728 0.80 BCHE (1.00) BCHEACHESLC6A3SMN1; SMN2
SCHEMBL30137323 0.80 BCHE (1.00) BCHEACHESLC6A3SMN1; SMN2HPGD
SCHEMBL28621387 0.80 BCHE (0.76) BCHEACHESLC6A3SMN1; SMN2
SCHEMBL28634368 0.80 BCHE (0.81) BCHEACHESLC6A3SMN1; SMN2HPGD
SCHEMBL3474481 0.77 HPGD (0.54) BCHEACHEHPGDNPSR1
SCHEMBL27702004 0.76 BCHE (0.87) BCHEACHESLC6A3SMN1; SMN2HPGD
SCHEMBL10790092 0.76 BCHE (0.58) BCHEACHESLC6A3SMN1; SMN2HPGD
SCHEMBL28621381 0.76 BCHE (1.00) BCHEACHEHPGD
SCHEMBL28621384 0.76 BCHE (0.70) BCHEACHESLC6A3SMN1; SMN2HPGD

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
CN-113149932-A Preparation method of heat-sensitive dye compound N-acyl phenothiazine 虎丘影像(苏州)有限公司 2021-07-23 CN disclosed