SCHEMBL28502154

SCHEMBL28502154

Clc1ccccc1C([Ti])(c1ccccc1)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 5/20 0.57
TSHR P16473 6/20 0.44
KCNA3 P22001 2/20 0.43
CYP19A1 P11511 3/20 0.42
HTR2A P28223 2/20 0.42
HTR2C P28335 2/20 0.42
OPRK1 P41145 2/20 0.42
KCNH2 Q12809 2/20 0.42
LMNA P02545 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP1A2 P05177 2/20 0.42
MAPK1 P28482 2/20 0.42
ADRA1A P35348 1/20 0.42
MEN1 O00255 1/20 0.42
SLC22A1 O15245 1/20 0.42
NR1I2 O75469 1/20 0.42
GMNN O75496 1/20 0.42
USP2 O75604 1/20 0.42
TRPM2 O94759 1/20 0.42
ABCB11 O95342 1/20 0.42

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
SCHEMBL8157067 0.76 KCNN4 (0.61) KCNN4TSHRKCNA3CYP19A1HTR2A
SCHEMBL1713367 0.76 KCNN4 (0.55) KCNN4TSHRKCNA3CYP19A1HTR2A
SCHEMBL6337202 0.74 KCNN4 (0.59) KCNN4TSHRKCNA3CYP19A1HTR2A
SCHEMBL31364199 0.74 KCNN4 (0.59) KCNN4TSHRKCNA3CYP19A1HTR2A
SCHEMBL26214 0.74 KCNN4 (0.59) KCNN4TSHRKCNA3CYP19A1HTR2A
SCHEMBL31364247 0.74 KCNN4 (0.59) KCNN4TSHRKCNA3CYP19A1HTR2A
SCHEMBL29354141 0.74 KCNN4 (0.59) KCNN4TSHRKCNA3CYP19A1HTR2A
SCHEMBL3239466 0.74 KCNN4 (0.59) KCNN4TSHRKCNA3CYP19A1HTR2A
SCHEMBL11654993 0.74 KCNN4 (0.59) KCNN4TSHRKCNA3CYP19A1HTR2A
SCHEMBL10931107 0.74 KCNN4 (0.59) KCNN4TSHRKCNA3CYP19A1HTR2A

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-107567433-B Bridged bi-aromatic ligands and olefin polymerization catalysts prepared therefrom 尤尼威蒂恩技术有限责任公司 2022-01-18 CN disclosed
CN-107995909-B Bis (aminophenylphenol) ligands and transition metal compounds prepared therefrom 尤尼威蒂恩技术有限责任公司 2020-12-01 CN disclosed