SCHEMBL9749020

SCHEMBL9749020

O=C(Cl)c1ccn2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.41
ALOX15 P16050 2/20 0.41
KDM4E B2RXH2 4/20 0.37
MAPT P10636 3/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
FNTA P49354 2/20 0.33
FNTB P49356 2/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
HPGD P15428 3/20 0.33
NPSR1 Q6W5P4 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NOTUM Q6P988 2/20 0.32
KMT2A Q03164 4/20 0.32
MEN1 O00255 2/20 0.32
EPHB3 P54753 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32

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
SCHEMBL27516303 0.83 FNTA (0.39) ALDH1A1ALOX15KDM4EMAPTNPC1
SCHEMBL1490768 0.82 ALDH1A1 (0.47) ALDH1A1ALOX15KDM4EMAPTNPC1
SCHEMBL5369223 0.82 KDM4E (0.36) ALDH1A1ALOX15KDM4EMAPTNPC1
SCHEMBL9231407 0.80 BAZ2B (0.41) ALDH1A1KDM4EMAPTNPC1RAB9A
SCHEMBL2631222 0.80 MAPT (0.42) ALDH1A1KDM4EMAPTNPC1HPGD
SCHEMBL7100135 0.79 ALDH1A1 (0.53) ALDH1A1KDM4EMAPTSMN1; SMN2KMT2A
Hydrochloric Acid SCHEMBL16468136 0.78 KDM4E (0.41) ALDH1A1KDM4EMAPTNPC1HPGD
SCHEMBL9602766 0.77 FNTA (0.49) ALDH1A1KDM4EMAPTFNTAFNTB
SCHEMBL6266511 0.77 ALDH1A1 (0.41) ALDH1A1ALOX15KDM4EMAPTNPC1
SCHEMBL3261493 0.77 PLA2G2A (0.34) ALDH1A1ALOX15KDM4EMAPTNPC1

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
EP-0254584-B1 AZABICYCLIC COMPOUNDS, PROCESS FOR THEIR PREPARATION, AND THEIR PHARMACEUTICAL USE BEECHAM GROUP PLC (GB) 1992-10-07 EP disclosed
US-4822795-A Pharmaceutically useful esters and amides BEECHAM GROPUP P.L.C. (GB) 1989-04-18 US disclosed
EP-0254584-A2 Azabicyclic compounds, process for their preparation, and their pharmaceutical use BEECHAM GROUP PLC (GB) 1988-01-27 EP disclosed