SCHEMBL9348168

SCHEMBL9348168

O=C(O)CC1CSc2ccccc2C1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GLA P06280 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 2/20 0.38
MITF O75030 1/20 0.38
KMT2A Q03164 1/20 0.38
DGAT1 O75907 1/20 0.38
NOTUM Q6P988 1/20 0.35
AKR1B1 P15121 1/20 0.35
FFAR1 O14842 2/20 0.34
MAPT P10636 3/20 0.34
ALOX15 P16050 1/20 0.34
HTT P42858 1/20 0.34
HBB P68871 1/20 0.34
CA12 O43570 1/20 0.34
CA9 Q16790 1/20 0.34
MAOB P27338 1/20 0.34
ALDH1A1 P00352 1/20 0.33
PLA2G1B P04054 1/20 0.33

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
SCHEMBL7288534 0.85 TP53 (0.41) TP53L3MBTL1GLAHSD17B10DGAT1
SCHEMBL10564928 0.80 KDM4E (0.44) KMT2ADGAT1NOTUMMAPTHTT
SCHEMBL10559290 0.80 KDM4E (0.45) TP53KMT2ADGAT1MAPTHTT
SCHEMBL10562759 0.80 KDM4E (0.53) FFAR1MAPTHTTHPGDPOLB
SCHEMBL5142502 0.76 MAPT (0.38) HSD17B10TDP1MITFKMT2ANOTUM
SCHEMBL7605648 0.75 METAP1 (0.56) TDP1MAPTALDH1A1HPGD
SCHEMBL4950715 0.74 PTGIR (0.45) TDP1KMT2AMAPTHTTMAOB
SCHEMBL7296956 0.74 HTT (0.37) TP53L3MBTL1DGAT1HTTALDH1A1
Hydrochloric Acid SCHEMBL10916080 0.74 METAP1 (0.57) TDP1MAPTALDH1A1HPGD
SCHEMBL68883 0.73 HPGD (0.37) TDP1KMT2ANOTUMMAPTALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5292768-A Compound effective as cerebral insufficiency improver SUNTORY LIMITED (JP) 1994-03-08 US disclosed
US-5288752-A Brain disorders SUNTORY LIMITED (JP) 1994-02-22 US disclosed
EP-0322248-B1 COMPOUNDS EFFECTIVE AGAINST CEREBRAL INSUFFICIENCY SUNTORY LIMITED (JP) 1993-08-04 EP disclosed
US-5179092-A Cognition activators SUNTORY LIMITED (JP) 1993-01-12 US disclosed
US-5057514-A Compounds effective as cerebral schemia treating agents SUNTORY LIMITED (JP) 1991-10-15 US disclosed
EP-0322248-A2 Compounds effective against cerebral insufficiency SUNTORY LIMITED (JP) 1989-06-28 EP disclosed
US-4843075-A ANXIOLYTIC YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1989-06-27 US disclosed
EP-0252990-A1 BENZOTHIOPYRANO(4,3-C)PYRIDAZINE COMPOUNDS, PROCESSES FOR THEIR PREPARATION, AND THEIR USE Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1988-01-20 EP disclosed