SCHEMBL9397885

SCHEMBL9397885

O=S(=O)(O)c1ccc2ccc3c(S(=O)(=O)OO)cc(S(=O)(=O)O)c4ccc1c2c43

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.39
CTRB1 P17538 1/20 0.38
MEN1 O00255 3/20 0.38
THRB P10828 3/20 0.38
KMT2A Q03164 3/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
TP53 P04637 2/20 0.38
CYP3A4 P08684 2/20 0.38
MAPT P10636 2/20 0.38
HPGD P15428 2/20 0.38
ALOX15 P16050 2/20 0.38
MAPK1 P28482 2/20 0.38
BRCA1 P38398 2/20 0.38
RECQL P46063 2/20 0.38
BLM P54132 2/20 0.38
HSD17B10 Q99714 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
APEX1 P27695 1/20 0.38
SLC10A1 Q14973 1/20 0.38

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
SCHEMBL9397882 0.90 CYP1A2 (0.31) CYP1A2MEN1THRBKMT2AKDM4E
SCHEMBL3822788 0.90 AURKA (0.42) CYP1A2CTRB1MEN1THRBKMT2A
SCHEMBL30218795 0.90 AURKA (0.42) CYP1A2CTRB1MEN1THRBKMT2A
SCHEMBL28011471 0.89 AURKA (0.39) CYP1A2CTRB1MEN1THRBKMT2A
SCHEMBL27999679 0.88 AURKA (0.41) CYP1A2CTRB1MEN1THRBKMT2A
Water SCHEMBL28058241 0.88 AURKA (0.41) CYP1A2CTRB1MEN1THRBKMT2A
SCHEMBL27842341 0.88 AURKA (0.41) CYP1A2CTRB1MEN1THRBKMT2A
Methane SCHEMBL27963284 0.86 AURKA (0.40) CYP1A2CTRB1MEN1THRBKMT2A
SCHEMBL28005645 0.84 CYP1A2 (0.39) CYP1A2CTRB1MEN1THRBKMT2A
SCHEMBL27491132 0.84 KDM4E (0.37) CYP1A2CTRB1MEN1THRBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109068659-A For fixing the magnetism macroporous polymer hybrid bracket of biological nano catalyst 齐姆特罗尼克斯催化系统股份有限公司 2018-12-21 CN disclosed
EP-0361894-B1 Loading and controlled release of amphiphatic molecules to and from liposomes YISSUM RES DEV CO (IL) 1994-11-09 EP disclosed
US-5316771-A Drug delivery YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 1994-05-31 US disclosed
US-5192549-A Ammonium gradient, sustained release, doxorubicin, acridine orange YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 1993-03-09 US disclosed
EP-0361894-A2 Loading and controlled release of amphiphatic molecules to and from liposomes YISSUM RESEARCH AND DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 1990-04-04 EP disclosed