SCHEMBL28396757

SCHEMBL28396757

CCc1cccc(-c2ccc(C)cc2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SREBF2 Q12772 2/20 0.44
SREBF1 P36956 1/20 0.44
ALDH1A1 P00352 3/20 0.41
MAPT P10636 2/20 0.41
HPGD P15428 2/20 0.41
POLB P06746 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
KDM4E B2RXH2 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
RAB9A P51151 3/20 0.40
ENPP3 O14638 1/20 0.39
ENPP1 P22413 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
NPC1 O15118 2/20 0.39
LMNA P02545 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39

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
SCHEMBL13283433 0.84 RAB9A (0.60) ALDH1A1MAPTHPGDPOLBHSD17B10
SCHEMBL8989216 0.83 MEN1 (0.43) SREBF2ALDH1A1MAPTHPGDPOLB
SCHEMBL2759538 0.83 CNR2 (0.43) SREBF2ALDH1A1MAPTHPGDPOLB
SCHEMBL29407960 0.83 IRAK4 (0.48) SREBF2ALDH1A1MAPTHPGDPOLB
SCHEMBL16768775 0.83 IRAK4 (0.48) SREBF2ALDH1A1MAPTHPGDPOLB
SCHEMBL13534470 0.83 SCN9A (0.46) SREBF2ALDH1A1MAPTHPGDPOLB
SCHEMBL28888400 0.81 CTSS (0.49) KDM4ETDP1RAB9AENPP3SMN1; SMN2
SCHEMBL3421833 0.81 KMT2A (0.59) SREBF2ALDH1A1MAPTHPGDPOLB
SCHEMBL244011 0.81 CCR1 (0.46) KDM4ETDP1L3MBTL1SMN1; SMN2LMNA
SCHEMBL13658670 0.81 PDE10A (0.51) MAPTMEN1KMT2AKDM4ERAB9A

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
CN-111138346-B 2-ethyl-4,6-disubstituted pyridine compound and preparation method thereof 上海大学 2022-11-08 CN disclosed
CN-111138346-A 2-ethyl-4, 6-disubstituted pyridine compound and preparation method thereof 上海大学 2020-05-12 CN disclosed