SCHEMBL6659912

SCHEMBL6659912

O=C(Cc1ccc([N+](=O)[O-])cc1)OCc1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.70
L3MBTL1 Q9Y468 3/20 0.70
MAPK1 P28482 1/20 0.70
RAB9A P51151 4/20 0.57
NPC1 O15118 1/20 0.55
MAPT P10636 3/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
GAA P10253 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
HTT P42858 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
LMNA P02545 1/20 0.51

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
SCHEMBL11688696 1.00 ALDH1A1 (0.70) ALDH1A1L3MBTL1MAPK1RAB9ANPC1
SCHEMBL23783307 0.96 ALDH1A1 (0.64) ALDH1A1L3MBTL1MAPK1RAB9ANPC1
SCHEMBL7729899 0.94 ALDH1A1 (0.58) ALDH1A1L3MBTL1MAPK1RAB9AMAPT
SCHEMBL11685951 0.87 MAPT (0.64) ALDH1A1L3MBTL1MAPK1MAPTGAA
SCHEMBL11686784 0.87 ALDH1A1 (0.65) ALDH1A1L3MBTL1MAPK1RAB9ANPC1
SCHEMBL7642680 0.87 RAB9A (0.56) ALDH1A1L3MBTL1MAPK1RAB9ANPC1
SCHEMBL6645015 0.86 RAB9A (0.61) ALDH1A1RAB9ANPC1MAPTMEN1
SCHEMBL8716892 0.86 RAB9A (0.61) ALDH1A1RAB9ANPC1MAPTMEN1
SCHEMBL6151831 0.86 RAB9A (0.61) ALDH1A1RAB9ANPC1MAPTMEN1
SCHEMBL6348211 0.85 RAB9A (0.64) ALDH1A1L3MBTL1MAPK1RAB9AMAPT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112824398-B Immunomodulator 成都先导药物开发股份有限公司 2022-10-21 CN disclosed
CN-112824398-A Immunomodulator 成都先导药物开发股份有限公司 2021-05-21 CN disclosed
EP-0816916-B1 Photographic developing composition EASTMAN KODAK CO (US) 2004-08-11 EP disclosed
US-5942379-A HIGH SPEED DEVELOPMENT EASTMAN KODAK COMPANY (US) 1999-08-24 US disclosed
US-5780212-A DEVELOPER MIXTURE CONTAINING AS CO-DEVELOPER AN N-PHENYL-3-PYRAZOLIDINONE DERIVATIVE HAVING SOLUBILIZING GROUPS INDIRECTLY ATTACHED TO RING(S); WATER SOLUBILITY, EFFICIENCY, NONFOULING EASTMAN KODAK COMPANY (US) 1998-07-14 US disclosed
EP-0816916-A1 Photographic developing composition EASTMAN KODAK COMPANY (US) 1998-01-07 EP disclosed