SCHEMBL7599877

SCHEMBL7599877

O=C1OC(c2ccccc2)=C/C1=C\c1cccs1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 14/20 1.00
KMT2A Q03164 9/20 1.00
MEN1 O00255 8/20 1.00
KDM4E B2RXH2 5/20 1.00
TDP1 Q9NUW8 2/20 1.00
ALDH1A1 P00352 11/20 0.52
HPGD P15428 5/20 0.52
RAB9A P51151 4/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
HTT P42858 3/20 0.52
NPC1 O15118 2/20 0.52
GAA P10253 1/20 0.52
PKM P14618 4/20 0.51
ALOX12 P18054 2/20 0.51
POLB P06746 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51
HSD17B10 Q99714 1/20 0.51
LMNA P02545 1/20 0.50
NR1I2 O75469 1/20 0.40
MAPK1 P28482 2/20 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
SCHEMBL16080104 1.00 MAPT (1.00) MAPTKMT2AMEN1KDM4ETDP1
SCHEMBL7599882 1.00 MAPT (1.00) MAPTKMT2AMEN1KDM4ETDP1
SCHEMBL10577132 0.87 MAPT (0.77) MAPTKMT2AMEN1KDM4ETDP1
SCHEMBL10577130 0.87 MAPT (0.77) MAPTKMT2AMEN1KDM4ETDP1
SCHEMBL10577536 0.84 MAPT (0.74) MAPTKMT2AMEN1KDM4ETDP1
SCHEMBL10577532 0.84 MAPT (0.74) MAPTKMT2AMEN1KDM4ETDP1
SCHEMBL16080106 0.77 MAPT (0.62) MAPTKMT2AMEN1KDM4ETDP1
SCHEMBL28640889 0.75 MAPT (0.60) MAPTKMT2AMEN1KDM4ETDP1
SCHEMBL10575636 0.75 MAPT (0.59) MAPTKMT2AMEN1KDM4ETDP1
SCHEMBL10575626 0.75 MAPT (0.59) MAPTKMT2AMEN1KDM4ETDP1

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-0690054-B1 1-Amino-2-cyclohexene derivatives and production process therefor KURARAY CO (JP) 2002-11-20 EP disclosed
US-5587486-A CONDENSATION; CARBONYLATION; HYDROLYSIS; INTERMEDIATES IN THE PRODUCTION OF MEDICINAL AND AGRICULTURAL AGENTS KURARAY CO., LTD. (JP) 1996-12-24 US disclosed
EP-0690054-A1 1-Amino-2-cyclohexene derivatives and production process therefor KURARAY CO., LTD. (JP) 1996-01-03 EP disclosed
US-4808599-A IMMUNOMODULATORY, CARDIOTONIC AGENTS RHONE-POULENC SANTE (FR) 1989-02-28 US disclosed