SCHEMBL7936740

SCHEMBL7936740

CC1=Cc2c(-c3ccccc3Cl)cccc2C1[Zr](Cl)Cl

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34
PLA2G7 Q13093 1/20 0.34
HSD11B1 P28845 1/20 0.33
PTPRC P08575 1/20 0.32
CYP2A6 P11509 1/20 0.32
DPP4 P27487 1/20 0.31
HTR1A P08908 2/20 0.31
HTR7 P34969 2/20 0.31
ALDH1A1 P00352 2/20 0.30
NPC1 O15118 1/20 0.30
LMNA P02545 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
GAA P10253 2/20 0.30
KDM4E B2RXH2 1/20 0.30
MGAM O43451 1/20 0.30
SI P14410 1/20 0.30
MGAM2 Q2M2H8 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
SCHEMBL3163967 0.83 BRD4 (0.33) CYP2A6HTR1AHTR7
Hydrochloric Acid SCHEMBL8497110 0.83 POLB (0.31) POLBKMT2APLA2G7HSD11B1
SCHEMBL4060837 0.82 CA12 (0.33) POLBCYP2A6HTR1AHTR7ALDH1A1
SCHEMBL6889133 0.79 EDNRB (0.32)
SCHEMBL7142949 0.78 LMNA (0.31) LMNA
SCHEMBL7932491 0.78 ESR2 (0.38) HTR1AHTR7ALDH1A1NPC1RAB9A
SCHEMBL28878593 0.78 BRD4 (0.33)
SCHEMBL4946930 0.77 MEN1 (0.32) KMT2AALDH1A1
Hydrochloric Acid SCHEMBL7936733 0.77 POLB (0.35) POLBKMT2APLA2G7HSD11B1PTPRC
SCHEMBL7199373 0.77 HTR2C (0.34) HTR1AHTR7

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
US-20010014718-A1 RESIN COMPOSITIONS AND USE OF THE SAME MITSUI CHEMICALS, INC. (JP) 2001-08-16 US disclosed