SCHEMBL7992397

SCHEMBL7992397

O=C1CCSc2cc3ccc(Br)cc3cc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.48
HTT P42858 2/20 0.48
VHL P40337 1/20 0.47
ELOC Q15369 1/20 0.47
ELOB Q15370 1/20 0.47
ALDH1A1 P00352 4/20 0.46
CYP2A6 P11509 1/20 0.36
CTSL P07711 1/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
MAPT P10636 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
LMNA P02545 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
ATM Q13315 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CA2 P00918 2/20 0.32
METAP1 P53582 1/20 0.32

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
SCHEMBL13135 0.82 KDM4E (0.58) KDM4EHTTVHLELOCELOB
SCHEMBL30714352 0.82 KDM4E (0.58) KDM4EHTTVHLELOCELOB
SCHEMBL86216 0.82 VHL (0.54) KDM4EHTTVHLELOCELOB
SCHEMBL69249 0.82 VHL (0.64) KDM4EHTTVHLELOCELOB
Ethylene SCHEMBL8101571 0.79 VHL (0.60) KDM4EHTTVHLELOCELOB
SCHEMBL5203764 0.72 VHL (0.51) KDM4EHTTVHLELOCELOB
SCHEMBL5956746 0.72 KDM4E (0.47) KDM4EHTTVHLELOCELOB
SCHEMBL7991966 0.72 MAOB (0.51) HTTALDH1A1MAPTLMNANPC1
SCHEMBL29649816 0.69 S100A4 (0.56) KDM4EALDH1A1CYP2A6MEN1KMT2A
SCHEMBL15210826 0.69 S100A4 (0.56) KDM4EALDH1A1CYP2A6MEN1KMT2A

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-6211385-B1 STARTING FROM THIOCHROMAN-4-ONE COMPOUND ALLERGAN SALES, INC. 2001-04-03 US disclosed
WO-2000068220-A1 PROCESS FOR PREPARING SUBSTITUTED BENZO[1,2-G]-CHROM-3-ENE, BENZO[1,2-G]-THIOCHROM-3-ENE AND BENZO[1,2-G]-1,2-DIHYDROQUINOLINE DERIVATIVES ALLERGAN SALES, INC. (US) 2000-11-16 WO disclosed
US-6043381-A Process for preparing substituted benzo[1,2-g]-chrom-3-ene, benzo[1,2-g]-thiochrom-3-ene and benzo[1,2-g]-1,2-dihydroquinoline derivatives ALLERGAN SALES, INC. (US) 2000-03-28 US disclosed