SCHEMBL28078050

SCHEMBL28078050

CC(C)c1c(N=C=O)c(C(C)C)c(-c2ccccc2)c(C(C)C)c1N=C=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.38
GABRB2 P47870 1/20 0.38
LMNA P02545 2/20 0.33
HTT P42858 2/20 0.33
MAPT P10636 1/20 0.33
CYP3A4 P08684 1/20 0.32
TP53 P04637 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CYP1A2 P05177 1/20 0.31
GAA P10253 1/20 0.31
CYP2C9 P11712 1/20 0.31
PKM P14618 1/20 0.31
CYP2C19 P33261 1/20 0.31
CDC25A P30304 1/20 0.31
CDC25B P30305 1/20 0.31
GRM5 P41594 1/20 0.30
PTGS2 P35354 1/20 0.30
PDE4A P27815 1/20 0.30

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
SCHEMBL403882 0.79 GABRA1 (0.38) GABRA1GABRB2CYP3A4
Water SCHEMBL27841311 0.77 GABRA1 (0.37) GABRA1GABRB2CYP3A4
SCHEMBL30731374 0.74 LMNA (0.43) GABRA1GABRB2LMNAHTTMAPT
SCHEMBL7712240 0.72 LMNA (0.42) GABRA1GABRB2LMNAHTTMAPT
SCHEMBL7167416 0.72 GABRA1 (0.38) GABRA1GABRB2LMNAHTTCYP3A4
SCHEMBL14118512 0.70 CYP3A4 (0.54) GABRA1GABRB2LMNAHTTMAPT
SCHEMBL28909456 0.69 GABRA1 (0.37) GABRA1GABRB2LMNAHTTMAPT
SCHEMBL29067238 0.69 LMNA (0.38) LMNA
SCHEMBL194319 0.68 GABRA1 (0.35) GABRA1GABRB2
SCHEMBL28071522 0.68 CYP3A4 (0.37) GABRA1GABRB2CYP3A4

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-105856708-A ELECTROSTATIC ADSORBABLE SHEET 优泊公司 2016-08-17 CN disclosed