SCHEMBL9460741

SCHEMBL9460741

CC(N)c1ccccc1OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.55
MAPK1 P28482 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
SGMS2 Q8NHU3 11/20 0.50
ALDH1A1 P00352 4/20 0.50
LMNA P02545 3/20 0.50
LIPE Q05469 1/20 0.50
LTA4H P09960 1/20 0.49
MAPK14 Q16539 1/20 0.49
KDM4E B2RXH2 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
HTR1A P08908 2/20 0.47
ADRA1D P25100 1/20 0.47
ADRA1A P35348 1/20 0.47
ADRA1B P35368 1/20 0.47
DRD2 P14416 1/20 0.47
GAA P10253 1/20 0.46

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
Hydrochloric Acid SCHEMBL9460764 0.98 MAPT (0.53) MAPTMAPK1TDP1L3MBTL1SGMS2
SCHEMBL8782512 0.87 LIPE (0.49) MAPTMAPK1TDP1L3MBTL1SGMS2
SCHEMBL31658824 0.85 NPC1 (0.55) SGMS2ALDH1A1LMNAHTR1AADRA1D
SCHEMBL683595 0.85 L3MBTL1 (0.58) MAPTMAPK1TDP1L3MBTL1SGMS2
SCHEMBL17040781 0.84 SLC6A9 (0.49) MAPTMAPK1TDP1L3MBTL1ALDH1A1
SCHEMBL9460724 0.83 HTR1A (0.53) MAPTMAPK1TDP1L3MBTL1SGMS2
SCHEMBL31166963 0.82 ALOX5 (0.50) MAPTMAPK1TDP1L3MBTL1LMNA
SCHEMBL23046945 0.82 MAPT (0.55) MAPTMAPK1TDP1L3MBTL1SGMS2
SCHEMBL3458384 0.82 TDP1 (0.55) MAPTMAPK1TDP1L3MBTL1SGMS2
Hydrochloric Acid SCHEMBL9461010 0.81 HTR1A (0.51) MAPTMAPK1TDP1L3MBTL1SGMS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2000238-A None JP disclosed
US-5231227-A Optically active hydroxybenzylamine derivative and process for producing said compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-07-27 US disclosed
EP-0311385-B1 OPTICALLY ACTIVE HYDROXYBENZYLAMINE DERIVATIVE, OPTICALLY ACTIVE AMINE-BORON COMPOUND CONTAINING SAID DERIVATIVE, AND PROCESS FOR PRODUCING OPTICALLY ACTIVE COMPOUND BY USING SAID COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-02-03 EP disclosed
US-5120853-A Reacting optically active amine-boron complex with oxime or ketone to produce opotically active amine or alcohol compounds SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-06-09 US disclosed
US-5011989-A Asymmetric reducing agents SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-04-30 US disclosed
JP-H02238-A OPTICALLY ACTIVE HYDROXYBENZYLAMINE DERIVATIVE, INTERMEDIATE THEREOF AND PRODUCTION THEREOF SUMITOMO CHEM CO LTD 1990-01-05 JP disclosed
EP-0311385-A2 Optically active hydroxybenzylamine derivative, optically active amine-boron compound containing said derivative, and process for producing optically active compound by using said compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1989-04-12 EP disclosed