SCHEMBL28842010

SCHEMBL28842010

CCCCCCCCCCCCCCCCCC.CCCCN(c1ccccc1N)C1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
KDM4E B2RXH2 2/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
BCHE P06276 10/20 0.35
BACE1 P56817 1/20 0.35
BACE2 Q9Y5Z0 1/20 0.35
MC4R P32245 1/20 0.35
ICMT O60725 1/20 0.34
ALB P02768 1/20 0.34
ACHE P22303 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
HSD17B10 Q99714 1/20 0.33
DRD2 P14416 1/20 0.32
DRD4 P21917 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
SCHEMBL28388284 0.97 THRA (0.38) THRATHRBKDM4EGAAMAPT
SCHEMBL28094663 0.97 BCHE (0.36) THRATHRBKDM4EGAAMAPT
SCHEMBL9781489 0.81 THRA (0.40) THRATHRBBCHEMC4RICMT
SCHEMBL6884492 0.80 BCHE (0.43) THRATHRBBCHEACHECYP1A2
SCHEMBL26945848 0.78 CYP3A4 (0.37) THRATHRBKDM4EGAABCHE
SCHEMBL7532689 0.77 MC4R (0.53) THRATHRBKDM4EBCHEMC4R
SCHEMBL14288494 0.77 MC4R (0.53) THRATHRBKDM4EBCHEMC4R
SCHEMBL11690784 0.76 DRD2 (0.51) KDM4EBCHEMC4RACHEALDH1A1
SCHEMBL28862997 0.76 IDO1 (0.37) KDM4EGAAMAPTCYP1A2CYP2C19
SCHEMBL28145488 0.75 IDO1 (0.38) KDM4EGAAMAPTHSD17B10

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-102768438-B Liquid crystal display device 三星显示有限公司 2017-04-12 CN disclosed