SCHEMBL28025937

SCHEMBL28025937

Clc1cccc(C2=C[CH]c3ccccc32)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 1/20 0.40
MAOB P27338 1/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39
NFKB1 P19838 1/20 0.39
RAB9A P51151 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALOX5 P09917 1/20 0.38
IDO1 P14902 3/20 0.38
PDK2 Q15119 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
TDO2 P48775 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 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
SCHEMBL28025959 0.85 PTPRC (0.46) PTAFRTSHRPDK2ADORA2AADORA1
SCHEMBL28025982 0.79 CYP1A2 (0.43) PTAFRMAOBNPC1TP53TSHR
SCHEMBL28025419 0.79 TAAR1 (0.39) MAOBTP53NFKB1NFKB2RELA
SCHEMBL28512208 0.79 RAB9A (0.39) NPC1TP53TSHRNFKB1RAB9A
SCHEMBL5076754 0.78 ALDH1A1 (0.41) MAOB
SCHEMBL28303649 0.77 ALDH1A1 (0.39) MAOB
SCHEMBL28512147 0.76 CYP1A2 (0.40) NPC1TP53TSHRNFKB1RAB9A
SCHEMBL28219408 0.76 ALDH1A1 (0.36) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL27502471 0.76 ALDH1A1 (0.35) KMT2A
SCHEMBL28025430 0.75 MAOB (0.39) MAOBTP53RAB9ANOTUM

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109824802-A Metallocenic compound, catalyst system and the polymerization using them of bridging 埃克森美孚化学专利公司 2019-05-31 CN claimed
CN-108137729-B Catalysts for forming multimodal polymers 埃克森美孚化学专利公司 2021-02-05 CN disclosed
CN-109824802-A Metallocenic compound, catalyst system and the polymerization using them of bridging 埃克森美孚化学专利公司 2019-05-31 CN disclosed
CN-104822697-A Bridged metallocene compounds, catalyst systems and polymerization processes using the same EXXONMOBIL CHEM PATENTS INC 2015-08-05 CN disclosed