SCHEMBL8701110

SCHEMBL8701110

N#Cc1nsnc1OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.49
ALDH1A1 P00352 3/20 0.49
TSHR P16473 2/20 0.49
MAPK1 P28482 2/20 0.49
ALOX15 P16050 1/20 0.49
MAOB P27338 2/20 0.47
SQOR Q9Y6N5 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.41
MAPT P10636 2/20 0.40
LMNA P02545 2/20 0.40
HPGD P15428 2/20 0.40
HTT P42858 2/20 0.40
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
CNR1 P21554 1/20 0.40
CDK1 P06493 1/20 0.39

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
SCHEMBL20261936 0.80 SQOR (0.55) HSD17B10ALDH1A1TSHRMAPK1MAOB
SCHEMBL6640147 0.75 TSHR (0.52) HSD17B10ALDH1A1TSHRMAPK1ALOX15
SCHEMBL8701413 0.71 ALDH1A1 (0.49) HSD17B10ALDH1A1TSHRMAPK1ALOX15
SCHEMBL2696881 0.71 SQOR (0.47) HSD17B10ALDH1A1TSHRMAPK1MAOB
SCHEMBL4034458 0.69 MAOB (0.51) MAOBSQORL3MBTL1MEN1RAB9A
SCHEMBL4214379 0.69 LTA4H (0.58) ALDH1A1MAPK1MAOBL3MBTL1MAPT
SCHEMBL7990621 0.68 MAOB (0.51) ALDH1A1TSHRMAPK1MAOBSQOR
SCHEMBL3092226 0.68 MAOB (0.50) MAOBSQORL3MBTL1CNR1MGMT
SCHEMBL11088206 0.67 PDE4A (0.46) HSD17B10ALDH1A1TSHRMAOBSQOR
SCHEMBL7248256 0.67 ALDH1A1 (0.50) ALDH1A1MAPK1MAOBSQORL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5843942-A Aromatic amino ethers as pain relieving agents ZENECA LIMITED (GB) 1998-12-01 US disclosed
EP-0773930-A1 AROMATIC AMINO ETHERS AS PAIN RELIEVING AGENTS ZENECA LIMITED (GB) 1997-05-21 EP disclosed
WO-1996003380-A1 AROMATIC AMINO ETHERS AS PAIN RELIEVING AGENTS ZENECA LIMITED (GB) 1996-02-08 WO disclosed