SCHEMBL10490281

SCHEMBL10490281

O=C(c1ccc([N+](=O)[O-])cc1)N1c2ccccc2Sc2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BCHE P06276 11/20 1.00
ACHE P22303 4/20 0.67
P2RX4 Q99571 1/20 0.66
LMNA P02545 2/20 0.64
MAPT P10636 2/20 0.64
MAPK1 P28482 2/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
GAA P10253 1/20 0.64
SNCA P37840 1/20 0.61
UBE2N P61088 1/20 0.56
KMT2A Q03164 1/20 0.56
SLC6A3 Q01959 1/20 0.52

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 0.81 BCHE (1.00) BCHEACHEP2RX4MAPK1SMN1; SMN2
SCHEMBL8559583 0.80 BCHE (0.67) BCHEACHEP2RX4LMNAMAPT
SCHEMBL13949532 0.79 LMNA (1.00) BCHEACHELMNAMAPTMAPK1
SCHEMBL28621728 0.78 BCHE (1.00) BCHEACHELMNASMN1; SMN2SLC6A3
SCHEMBL28621387 0.78 BCHE (0.76) BCHEACHEP2RX4SMN1; SMN2SLC6A3
SCHEMBL30137323 0.78 BCHE (1.00) BCHEACHEMAPTSMN1; SMN2KMT2A
SCHEMBL28634368 0.78 BCHE (0.81) BCHEACHESMN1; SMN2SLC6A3
SCHEMBL11766321 0.78 MAPK1 (0.69) BCHEACHEP2RX4LMNAMAPT
SCHEMBL27702004 0.75 BCHE (0.87) BCHEACHEMAPK1SMN1; SMN2KMT2A
SCHEMBL29617997 0.75 BCHE (0.60) BCHELMNAMAPTMAPK1SMN1; SMN2

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 4 patents. 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
US-4812457-A Prostaglandin derivatives RESEARCH DEVELOPMENT CORPORATION (JP) 1989-03-14 US disclosed
EP-0182231-B1 PROSTAGLANDIN DERIVATIVES Research Development Corporation of Japan (JP) 1989-02-08 EP disclosed
EP-0182231-A2 Prostaglandin derivatives Research Development Corporation of Japan (JP) 1986-05-28 EP disclosed