SCHEMBL27737014

SCHEMBL27737014

Cc1ccc(-c2cccc3c2C=C(c2ccccc2)C3[Zr])cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 1/20 0.36
EDNRA P25101 1/20 0.36
LMNA P02545 4/20 0.34
TDP1 Q9NUW8 2/20 0.34
HPRT1 P00492 1/20 0.34
MAPK1 P28482 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
RAB9A P51151 5/20 0.33
NPC1 O15118 4/20 0.33
NFKB1 P19838 2/20 0.33
NFKB2 Q00653 2/20 0.33
RELA Q04206 2/20 0.33
HPGD P15428 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
CA12 O43570 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
MCOLN3 Q8TDD5 1/20 0.33
NTSR1 P30989 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL27757686 0.92 CHRNB2 (0.35) TDP1MAPK1HPGDPDCD1CD274
SCHEMBL27757690 0.87 EDNRB (0.40) EDNRBEDNRALMNATDP1MAPK1
SCHEMBL27737030 0.85 KCNH2 (0.36) EDNRBEDNRARAB9ANPC1HPGD
SCHEMBL27757710 0.82 GRIA4 (0.32)
SCHEMBL27736951 0.82 HSD11B1 (0.42) MEN1KMT2A
SCHEMBL4603520 0.81 PDCD1 (0.36) EDNRBEDNRALMNATDP1MAPK1
SCHEMBL27485116 0.81 EDNRB (0.34) EDNRBEDNRALMNARAB9ANPC1
SCHEMBL27736949 0.80 S1PR1 (0.39) TDP1RAB9ANPC1POLBMAPT
SCHEMBL27736959 0.80 HSD11B1 (0.42) ALDH1A1MAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL7601938 0.80 EDNRB (0.33) EDNRBEDNRALMNATDP1RAB9A

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-101356199-A Method for producing ultra-high molecular weight polymers by means of special bridged metallocene catalysts TICONA GMBH (DE) 2009-01-28 CN disclosed