SCHEMBL7102544

SCHEMBL7102544

COc1ccc2c(Cl)c(-c3ccccc3OC)sc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.53
ALDH1A1 P00352 3/20 0.53
HSD17B10 Q99714 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C19 P33261 1/20 0.53
KMT2A Q03164 1/20 0.53
HSP90AA1 P07900 2/20 0.53
HTT P42858 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
PRNP P04156 1/20 0.50
TSHR P16473 1/20 0.50
MAPK1 P28482 1/20 0.50
PPARG P37231 1/20 0.50
MAPK10 P53779 1/20 0.50
NCOA2 Q15596 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
LMNA P02545 2/20 0.47
KDM4E B2RXH2 1/20 0.47
GAA P10253 1/20 0.47

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
SCHEMBL7107233 0.83 HSP90AA1 (0.53) MAPTALDH1A1HSD17B10CYP1A2CYP3A4
SCHEMBL7936769 0.78 MAPT (0.59) MAPTALDH1A1HSD17B10CYP1A2CYP3A4
SCHEMBL7106224 0.77 MAPT (0.55) MAPTALDH1A1HSD17B10CYP1A2CYP3A4
SCHEMBL24703043 0.77 MAPT (0.47) MAPTALDH1A1HSD17B10CYP1A2CYP3A4
SCHEMBL7104829 0.77 HSP90AA1 (0.61) HSP90AA1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL14246782 0.77 MAPT (0.45) MAPTALDH1A1HSD17B10CYP1A2CYP3A4
SCHEMBL28659814 0.76 HSP90AA1 (0.49) MAPTALDH1A1HSD17B10CYP1A2KMT2A
SCHEMBL7101738 0.76 HSP90AA1 (0.44) MAPTALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL7103621 0.76 MAPT (0.51) MAPTALDH1A1HSD17B10CYP1A2CYP3A4
SCHEMBL28674917 0.75 HSP90AA1 (0.48) MAPTALDH1A1KMT2AHSP90AA1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0827959-B1 Benzo[B]thiophene compounds, intermediates, processes, compositions, and methods LILLY CO ELI (US) 2003-12-03 EP disclosed
US-5977382-A Benzo[b]thiophene compounds, intermediates, processes, compositions, and methods ELI LILLY AND COMPANY (US) 1999-11-02 US disclosed
US-5977098-A Benzo[B]thiophene compounds, intermediates, processes, compositions, and methods ELI LILLY AND COMPANY (US) 1999-11-02 US disclosed
US-5952513-A TREATING POSTMENOPAUSAL SYNDROME SUCH AS OSTEOPOROSIS ELI LILLY AND COMPANY (US) 1999-09-14 US disclosed
US-5843965-A Benzo B! thiophene compounds, intermediates, processes, compositions, and methods ELI LILLY AND COMPANY (US) 1998-12-01 US disclosed
EP-0827959-A2 Benzo[B]thiophene compounds, intermediates, processes, compositions, and methods ELI LILLY AND COMPANY (US) 1998-03-11 EP disclosed