SCHEMBL27690103

SCHEMBL27690103

O=C(Oc1ccn(-c2ccccc2)n1)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.60
MAPT P10636 6/20 0.60
LMNA P02545 2/20 0.50
MEN1 O00255 1/20 0.50
GAA P10253 2/20 0.49
ALDH1A1 P00352 1/20 0.48
CYP2C9 P11712 1/20 0.47
KDM4E B2RXH2 1/20 0.46
HPGD P15428 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TSHR P16473 1/20 0.45
HTT P42858 1/20 0.45
HSD17B10 Q99714 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
POLB P06746 1/20 0.42
ELOVL1 Q9BW60 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL30320367 0.79 KMT2A (0.54) KMT2AMAPTLMNAMEN1ALDH1A1
SCHEMBL28298003 0.77 KDM4E (0.49) KMT2AMAPTLMNAGAAALDH1A1
SCHEMBL9832051 0.76 NPC1 (0.49) KMT2AMAPTGAAALDH1A1CYP2C9
SCHEMBL10919111 0.76 ELOVL1 (0.45) KMT2AMAPTLMNAGAAALDH1A1
SCHEMBL27600721 0.75 KMT2A (0.50) KMT2AMAPTLMNAMEN1GAA
SCHEMBL6971231 0.75 CYP2C9 (0.46) KMT2AMAPTLMNAMEN1GAA
SCHEMBL11601410 0.73 KMT2A (0.55) KMT2AMAPTLMNAMEN1GAA
SCHEMBL28767728 0.72 MAPT (0.52) MAPTGAAALDH1A1CYP2C9KDM4E
SCHEMBL7757989 0.72 CYP2C9 (0.43) KMT2AMAPTLMNAMEN1GAA
SCHEMBL7692506 0.71 CYP2C9 (0.44) KMT2AMAPTLMNAMEN1GAA

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-85103468-A Prepare the method for new compound and new purposes thereof 1986-09-10 CN claimed