SCHEMBL28628271

SCHEMBL28628271

O=C(c1ccccc1)N1c2ccccc2Sc2ccc(Cl)cc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BCHE P06276 12/20 1.00
ACHE P22303 8/20 1.00
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
SLC6A3 Q01959 1/20 0.58
KDM4E B2RXH2 1/20 0.57
ALDH1A1 P00352 1/20 0.57

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
SCHEMBL14291953 0.94 BCHE (0.89) BCHEACHEMEN1KMT2AKDM4E
SCHEMBL28621387 0.86 BCHE (0.76) BCHEACHESLC6A3
SCHEMBL343497 0.86 BCHE (1.00) BCHEACHEMEN1KMT2ASLC6A3
SCHEMBL22147462 0.86 BCHE (1.00) BCHEACHE
SCHEMBL22147535 0.85 BCHE (0.80) BCHEACHEMEN1KMT2ASLC6A3
SCHEMBL22147539 0.84 BCHE (1.00) BCHEACHESLC6A3ALDH1A1
SCHEMBL22147542 0.84 BCHE (0.71) BCHEACHEMEN1KMT2AALDH1A1
SCHEMBL4452339 0.84 BCHE (0.72) BCHEACHEMEN1KMT2AKDM4E
SCHEMBL8870414 0.82 NOX1 (0.73) BCHEACHEMEN1KMT2AKDM4E
SCHEMBL22147555 0.82 BCHE (0.80) BCHEACHESLC6A3KDM4EALDH1A1

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