SCHEMBL28496142

SCHEMBL28496142

CC=Cc1ccc(N)cc1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
PDE10A Q9Y233 1/20 0.45
CASP1 P29466 4/20 0.43
CYP3A4 P08684 2/20 0.40
TSHR P16473 2/20 0.40
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
KDM4E B2RXH2 4/20 0.39
MAPT P10636 4/20 0.39
LMNA P02545 3/20 0.39
THRB P10828 2/20 0.39
ALOX15 P16050 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
POLB P06746 1/20 0.39
CASP6 P55212 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.37
GAA P10253 2/20 0.36
NR4A1 P22736 1/20 0.36
PTK2B Q14289 1/20 0.36
NPC1 O15118 3/20 0.36

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
SCHEMBL13763238 1.00 ALDH1A1 (0.50) ALDH1A1PDE10ACASP1CYP3A4TSHR
SCHEMBL12810945 1.00 ALDH1A1 (0.50) ALDH1A1PDE10ACASP1CYP3A4TSHR
SCHEMBL9033276 0.89 ALDH1A1 (0.56) ALDH1A1PDE10ACASP1CYP3A4TSHR
SCHEMBL28304117 0.89 ALDH1A1 (0.56) ALDH1A1PDE10ACASP1CYP3A4TSHR
SCHEMBL16900545 0.81 CYP19A1 (0.49) ALDH1A1PDE10ACASP1MEN1KMT2A
SCHEMBL22019510 0.80 CASP1 (0.44) ALDH1A1CASP1CYP3A4TSHRMEN1
SCHEMBL13495488 0.80 CASP1 (0.44) ALDH1A1CASP1CYP3A4TSHRMEN1
SCHEMBL9294673 0.79 CYP19A1 (0.52) ALDH1A1PDE10AMEN1KMT2AMAPT
SCHEMBL29292230 0.79 ALDH1A1 (0.44) ALDH1A1PDE10ACASP1CYP3A4TSHR
SCHEMBL23863464 0.78 ALDH1A1 (0.45) ALDH1A1PDE10ACASP1CYP3A4TSHR

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-112048919-A Preparation process of warm-keeping coating fabric 郭旭阳 2020-12-08 CN claimed
CN-112048919-A Preparation process of warm-keeping coating fabric 郭旭阳 2020-12-08 CN disclosed