SCHEMBL28439643

SCHEMBL28439643

N#Cc1cccc(C#Cc2ccccc2)c1Oc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.43
NPSR1 Q6W5P4 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
NPC1 O15118 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C19 P33261 2/20 0.42
KDM4E B2RXH2 2/20 0.42
HPGD P15428 2/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
HSD17B10 Q99714 1/20 0.42
APP P05067 1/20 0.40
POLB P06746 2/20 0.39
GAA P10253 1/20 0.39
PIN1 Q13526 1/20 0.38
TSHR P16473 2/20 0.38
CA12 O43570 1/20 0.37

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
SCHEMBL11332971 0.77 MAPT (0.48) MAPTNPSR1SMN1; SMN2MEN1KMT2A
SCHEMBL16719426 0.76 MAOB (0.49) MAPTSMN1; SMN2MEN1KMT2ANPC1
SCHEMBL3251181 0.76 CYP1A2 (0.43) MAPTNPSR1SMN1; SMN2MEN1KMT2A
SCHEMBL4085854 0.76 TSHR (0.53) MAPTNPSR1SMN1; SMN2MEN1KMT2A
SCHEMBL18586527 0.76 MAPT (0.45) MAPTNPSR1SMN1; SMN2MEN1KMT2A
SCHEMBL11115046 0.76 POLB (0.41) MAPTNPSR1SMN1; SMN2MEN1KMT2A
SCHEMBL12100932 0.76 HTR1A (0.44) MAPTNPSR1SMN1; SMN2MEN1KMT2A
SCHEMBL15009036 0.76 APP (0.57) MAPTSMN1; SMN2MEN1KMT2ANPC1
SCHEMBL16719452 0.75 NPC1 (0.43) MAPTSMN1; SMN2MEN1KMT2ANPC1
SCHEMBL943714 0.75 POLB (0.40) MAPTNPSR1SMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105934425-B EBNA1 inhibitors and methods of use thereof 威斯塔解剖学和生物学研究所 2020-08-07 CN disclosed