SCHEMBL9524858

SCHEMBL9524858

CC1(C)C=C(c2ccccn2)c2cc(OC(=O)O)ccc2O1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.37
KMT2A Q03164 5/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
TP53 P04637 2/20 0.37
NPC1 O15118 2/20 0.37
PKM P14618 1/20 0.37
RAB9A P51151 1/20 0.37
HSD17B10 Q99714 4/20 0.36
LMNA P02545 3/20 0.36
HTT P42858 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KDM4E B2RXH2 5/20 0.35
ALDH1A1 P00352 4/20 0.35
GLA P06280 2/20 0.35
GAA P10253 2/20 0.35
HPGD P15428 2/20 0.35
CASP1 P29466 2/20 0.35
CASP7 P55210 2/20 0.35

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
SCHEMBL8796181 0.83 GRM4 (0.35) MAPTSMN1; SMN2NPC1RAB9AHSD17B10
SCHEMBL9524854 0.83 RARA (0.48) KDM4ERARARARBRARGKDM6B
SCHEMBL8794576 0.81 CBFB (0.43)
SCHEMBL9525024 0.81 RARA (0.41) KMT2ASMN1; SMN2NPC1PKMRAB9A
SCHEMBL9525543 0.80 TGFBR1 (0.41) MAPTKMT2ASMN1; SMN2NPC1PKM
SCHEMBL9527612 0.78 NPC1 (0.44) MAPTKMT2ASMN1; SMN2TP53NPC1
SCHEMBL9524965 0.77 ADRA1A (0.39) MAPTSMN1; SMN2TP53NPC1PKM
SCHEMBL9525700 0.76 KDM4E (0.39) MAPTSMN1; SMN2TP53NPC1PKM
SCHEMBL9087775 0.76 ALDH1A1 (0.34) MAPTSMN1; SMN2HTTKDM4EALDH1A1
SCHEMBL9086316 0.76 MAPT (0.46) MAPTKMT2ANPC1RAB9ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0298452-B1 2H-1-BENZOPYRANE DERIVATIVES SUBSTITUTED IN POSITION 4 BY ARYL OR N-HETEROARYL F. HOFFMANN-LA ROCHE AG (CH) 1993-06-30 EP disclosed
EP-0298452-A2 2H-1-benzopyrane derivatives substituted in position 4 by aryl or N-heteroaryl F. HOFFMANN-LA ROCHE AG (CH) 1989-01-11 EP disclosed