SCHEMBL10569643

SCHEMBL10569643

CC(C)C1(c2ccccc2OCC2CO2)Sc2ccccc2N(C)C1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
GLA P06280 1/20 0.41
LMNA P02545 2/20 0.41
HTT P42858 2/20 0.41
HSD17B10 Q99714 1/20 0.41
RAD52 P43351 1/20 0.34
TSHR P16473 2/20 0.33
HRH3 Q9Y5N1 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MAPT P10636 2/20 0.31
PKM P14618 2/20 0.31
DRD4 P21917 1/20 0.31
P2RX3 P56373 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
OPRM1 P35372 1/20 0.30
OPRK1 P41145 1/20 0.30
OPRL1 P41146 1/20 0.30

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
SCHEMBL10691306 0.79 ALDH1A1 (0.41) ALDH1A1GLALMNAHTTHSD17B10
SCHEMBL9768384 0.78 RAD52 (0.34) ALDH1A1RAD52MAPTPKM
SCHEMBL9768382 0.78 RAD52 (0.34) ALDH1A1RAD52MAPTPKM
Hydrochloric Acid SCHEMBL10773272 0.74 HIF1A (0.33) LMNARAD52MAPT
SCHEMBL9768339 0.73 RAD52 (0.42) ALDH1A1LMNAHSD17B10RAD52TSHR
SCHEMBL10572167 0.73 RAD52 (0.42) ALDH1A1LMNAHSD17B10RAD52TSHR
SCHEMBL10770978 0.72 DRD2 (0.40) ALDH1A1RAD52TDP1MEN1KMT2A
SCHEMBL10710825 0.71 KDM4E (0.40) ALDH1A1TDP1DRD4MEN1KMT2A
Hydrochloric Acid SCHEMBL10772441 0.71 LMNA (0.44) ALDH1A1LMNAHSD17B10TSHRTDP1
SCHEMBL9830536 0.69 LMNA (0.44) ALDH1A1GLALMNAHTTHSD17B10

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-4831028-A Novel benzothiazinone derivatives, processes for their preparation, medicaments containing them and their use HOECHST AKTIENGESELLSCHAFT (DE) 1989-05-16 US disclosed
EP-0244723-A2 Benzothiazinone derivatives, process for their preparation, medicaments containing them and their use HOECHST AKTIENGESELLSCHAFT (DE) 1987-11-11 EP disclosed
EP-0243886-A2 Benzothiazinone derivatives, process for their preparation, therapeutic agents containing them and their use HOECHST AKTIENGESELLSCHAFT (DE) 1987-11-04 EP disclosed