SCHEMBL9016310

SCHEMBL9016310

CCCCCCCCCc1ccc2oc(S)nc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 6/20 0.47
HTR2A P28223 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ESR1 P03372 2/20 0.40
ADRA2A P08913 2/20 0.40
ADORA3 P0DMS8 2/20 0.40
TACR2 P21452 2/20 0.40
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 2/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
TP53 P04637 2/20 0.40
HSD17B10 Q99714 2/20 0.40
LMNA P02545 1/20 0.40
SHBG P04278 1/20 0.40
CYP3A4 P08684 1/20 0.40
HSPD1 P10809 1/20 0.40
ADRB3 P13945 1/20 0.40

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
SCHEMBL9307753 1.00 TLR8 (0.47) TLR8HTR2AMEN1KMT2AESR1
SCHEMBL26554134 0.82 MEN1 (0.57) TLR8MEN1KMT2AESR1ADRA2A
SCHEMBL9306399 0.82 TLR8 (0.44) TLR8HTR2AMEN1KMT2AESR1
SCHEMBL26553778 0.82 MEN1 (0.53) TLR8HTR2AMEN1KMT2AKDM4E
Hydrochloric Acid SCHEMBL25400160 0.81 MEN1 (0.52) TLR8HTR2AMEN1KMT2AKDM4E
SCHEMBL26553782 0.81 MEN1 (0.56) TLR8HTR2AMEN1KMT2AKDM4E
SCHEMBL29437090 0.81 MEN1 (0.56) TLR8HTR2AMEN1KMT2AKDM4E
SCHEMBL26553781 0.81 MEN1 (0.56) TLR8HTR2AMEN1KMT2AKDM4E
SCHEMBL9001595 0.80 KDM4E (0.59) HTR2AMEN1KMT2AESR1KDM4E
Hydrochloric Acid SCHEMBL25438479 0.80 MEN1 (0.54) TLR8HTR2AMEN1KMT2AKDM4E

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
US-5505310-A FLOTATION OF SULFIDES CONSIGLIO NAZIONALE DELLE RICERCHE (IT) 1996-04-09 US disclosed
EP-0615467-B1 2-MERCAPTO-BENZOXAZOLE DERIVATIVES AS COLLECTORS FOR THE SELECTIVE FLOTATION OF METAL ORES CONSIGLIO NAZIONALE RICERCHE (IT) 1995-08-23 EP disclosed
EP-0615467-A1 2-MERCAPTO-BENZOXAZOLE DERIVATIVES AS COLLECTORS FOR THE SELECTIVE FLOTATION OF METAL ORES. CONSIGLIO NAZIONALE RICERCHE (IT) 1994-09-21 EP disclosed
WO-1993010903-A1 2-MERCAPTO-BENZOXAZOLE DERIVATIVES AS COLLECTORS FOR THE SELECTIVE FLOTATION OF METAL ORES CONSIGLIO NAZIONALE DELLE RICERCHE (IT) 1993-06-10 WO disclosed