SCHEMBL9309854

SCHEMBL9309854

CCOC(=O)c1ccccc1-c1oc(Br)c2cc(C)ccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.47
NPC1 O15118 4/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
KDM4E B2RXH2 2/20 0.45
MAPK1 P28482 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ALOX5 P09917 4/20 0.43
ALDH1A1 P00352 3/20 0.42
RAB9A P51151 2/20 0.42
RXFP1 Q9HBX9 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MAPT P10636 3/20 0.41
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
USP2 O75604 1/20 0.40
ALOX15 P16050 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
SCHEMBL7302158 0.88 SLC6A3 (0.46) TSHRNPC1MEN1KMT2AKDM4E
SCHEMBL9313945 0.87 CYP4F2 (0.48) TSHRMEN1KMT2AKDM4EALOX5
SCHEMBL7302856 0.85 AR (0.38) NPC1MEN1KMT2AKDM4EALOX5
SCHEMBL9309848 0.85 ALOX5 (0.53) TSHRNPC1MEN1KMT2AKDM4E
SCHEMBL7312950 0.84 KDM4E (0.53) TSHRNPC1MEN1KMT2AKDM4E
SCHEMBL9311621 0.77 TSHR (0.48) TSHRNPC1MEN1KMT2AKDM4E
SCHEMBL9710721 0.76 ALDH1A1 (0.47) TSHRNPC1MEN1KMT2AKDM4E
SCHEMBL8544448 0.75 KMT2A (0.46) TSHRNPC1KMT2AKDM4EALDH1A1
SCHEMBL7314778 0.75 TSHR (0.46) TSHRNPC1MEN1KMT2AMAPK1
SCHEMBL7303033 0.74 NPC1 (0.46) TSHRNPC1MEN1KMT2AKDM4E

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-5374646-A Treatment or prophylasix of hypertension and diseases associated with cognitive disorders GLAXO GROUP LIMITED (GB) 1994-12-20 US disclosed
CN-1052672-A Benzofuran derivative GLAXO GROUP LTD (GB) 1991-07-03 CN disclosed
EP-0434249-A2 Benzofuran derivatives GLAXO GROUP LIMITED (GB) 1991-06-26 EP disclosed