SCHEMBL6980984

SCHEMBL6980984

CC1(c2ccc([N+](=O)[O-])cc2)OC1c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
CRHBP P24387 2/20 0.41
CRHR2 Q13324 2/20 0.41
ATM Q13315 1/20 0.41
TLR9 Q9NR96 1/20 0.41
HPGD P15428 1/20 0.41
ALOX12 P18054 1/20 0.41
MAPT P10636 2/20 0.41
HTT P42858 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
MMP2 P08253 1/20 0.40
CPB1 P15086 1/20 0.40
CES2 O00748 1/20 0.40

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
SCHEMBL6980981 1.00 ALDH1A1 (0.46) ALDH1A1MEN1KMT2ALMNAPOLB
SCHEMBL7107611 0.81 CHRM2 (0.40)
SCHEMBL3973022 0.81 CHRM2 (0.40)
SCHEMBL3831912 0.78 NPSR1 (0.41) ALDH1A1LMNASMN1; SMN2L3MBTL1ALOX12
SCHEMBL13567853 0.78 NPSR1 (0.41) ALDH1A1LMNASMN1; SMN2L3MBTL1ALOX12
SCHEMBL3831911 0.78 NPSR1 (0.41) ALDH1A1LMNASMN1; SMN2L3MBTL1ALOX12
SCHEMBL13567837 0.71 ALDH1A1 (0.45) ALDH1A1LMNASMN1; SMN2L3MBTL1ALOX12
SCHEMBL3827300 0.71 ALDH1A1 (0.45) ALDH1A1LMNASMN1; SMN2L3MBTL1ALOX12
SCHEMBL11742745 0.71 KMT2A (0.44) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL3827297 0.71 ALDH1A1 (0.45) ALDH1A1LMNASMN1; SMN2L3MBTL1ALOX12

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
EP-0724569-B1 PROCESS FOR THE PREPARATION OF AN OXIRANE, AZIRIDINE OR CYCLOPROPANE AVECIA LTD (GB) 2003-03-12 EP disclosed
US-5703246-A REACTING AN ORGANOMETALLIC COMPOUND WITH ORGANOSULFUR COMPOUND ZENECA LIMITED (GB) 1997-12-30 US disclosed
EP-0724569-A1 PROCESS FOR THE PREPARATION OF AN OXIRANE, AZIRIDINE OR CYCLOPROPANE ZENECA LIMITED (GB) 1996-08-07 EP disclosed
WO-1995011230-A1 PROCESS FOR THE PREPARATION OF AN OXIRANE, AZIRIDINE OR CYCLOPROPANE ZENECA LIMITED (GB) 1995-04-27 WO disclosed