SCHEMBL7932491

SCHEMBL7932491

CC1=Cc2c(-c3cccc(Cl)c3)cccc2C1[Zr](Cl)Cl

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.38
DHFR P00374 1/20 0.35
HTR1A P08908 1/20 0.34
HTR7 P34969 1/20 0.34
TP53 P04637 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
NUDT1 P36639 1/20 0.33
TDO2 P48775 1/20 0.33
PGR P06401 2/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
CA12 O43570 1/20 0.32
CA9 Q16790 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31

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
SCHEMBL27462366 0.87 CHEK1 (0.33) ADORA1PGRNPC1RAB9ASMN1; SMN2
SCHEMBL27463750 0.86 PTGS2 (0.33) HTR1AHTR7NPC1RAB9ASMN1; SMN2
SCHEMBL3163967 0.85 BRD4 (0.33) HTR1AHTR7
Hydrochloric Acid SCHEMBL8501980 0.84 ESR2 (0.35) ESR2DHFRHTR1AHTR7TP53
SCHEMBL27490630 0.83 PGR (0.33) ESR2DHFRHTR1AHTR7ADORA2A
SCHEMBL6889133 0.81 EDNRB (0.32)
SCHEMBL7601711 0.81 GSTP1 (0.37) ESR2DHFRADORA2AADORA1SMN1; SMN2
SCHEMBL7979480 0.80 GSTP1 (0.33) ESR2DHFR
SCHEMBL27486140 0.80 ESR2 (0.40) ESR2DHFRHTR1AHTR7TP53
SCHEMBL27464143 0.80 BRD4 (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1138680-C Container for heating and sterilizing ������ѧ��ʽ���� 2004-02-18 CN disclosed
US-20010014718-A1 RESIN COMPOSITIONS AND USE OF THE SAME MITSUI CHEMICALS, INC. (JP) 2001-08-16 US disclosed
EP-0930320-A1 ETHYLENE/ALPHA-OLEFIN COPOLYMERS, COMPOSITIONS, AND PROCESSES FOR THE PREPARATION OF THE COPOLYMERS AND THE COMPOSITIONS Mitsui Chemicals, Inc. (JP) 1999-07-21 EP disclosed
CN-1217685-A VULCANIZED MOLDING HAVING SURFACE DECORATIVE LAYER, PAINTED THERMOPLASTIC RESIN COMPOSITION AND PAINTED ELASTOMER COMPOSITION MITSUI CHEMICALS INC (JP) 1999-05-26 CN disclosed
CN-1216055-A RUBBER COMPOSITIONS FOR TIRES MITSUI CHEMICALS INC (JP) 1999-05-05 CN disclosed
CN-1216053-A SHRINKABLE FILM MADE FROM OLEFINE COPOLYMER MITSUI CHEMICALS INC (JP) 1999-05-05 CN disclosed