SCHEMBL2789002

SCHEMBL2789002

C[PH](c1ccccc1)(c1ccccc1)c1ccccc1.[Ni]

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.37
ACHE P22303 2/20 0.37
LMNA P02545 1/20 0.37
ALOX12 P18054 1/20 0.37
ALDH1A1 P00352 2/20 0.33
CA4 P22748 2/20 0.32
TP53 P04637 1/20 0.32
BBOX1 O75936 1/20 0.32
EHMT2 Q96KQ7 1/20 0.32
EHMT1 Q9H9B1 1/20 0.32
HTR2A P28223 1/20 0.31
HRH1 P35367 1/20 0.31
APOBEC3A P31941 1/20 0.30
APOBEC3G Q9HC16 1/20 0.30
CA1 P00915 2/20 0.30
CA2 P00918 2/20 0.30
CA9 Q16790 2/20 0.30
TDP1 Q9NUW8 2/20 0.30
CA12 O43570 1/20 0.30
GLA P06280 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
SCHEMBL8952 0.97 TSHR (0.39) TSHRACHELMNAALOX12ALDH1A1
Bromide SCHEMBL647163 0.93 TSHR (0.37) TSHRACHELMNAALOX12ALDH1A1
SCHEMBL16034408 0.93 TSHR (0.37) TSHRACHELMNAALOX12ALDH1A1
Fluoride SCHEMBL29267469 0.93 TSHR (0.37) TSHRACHELMNAALOX12ALDH1A1
Iodide SCHEMBL2117427 0.93 TSHR (0.37) TSHRACHELMNAALOX12ALDH1A1
SCHEMBL8967804 0.93 TSHR (0.37) TSHRACHELMNAALOX12ALDH1A1
Hydrochloric Acid SCHEMBL6778262 0.93 TSHR (0.37) TSHRACHELMNAALOX12ALDH1A1
SCHEMBL17431672 0.93 TSHR (0.37) TSHRACHELMNAALOX12ALDH1A1
Iodide SCHEMBL4280215 0.93 TSHR (0.37) TSHRACHELMNAALOX12ALDH1A1
Phosphine SCHEMBL5003432 0.93 TSHR (0.37) TSHRACHELMNAALOX12ALDH1A1

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
WO-2010087528-A2 NORBORNENE COPOLYMER AND PRODUCTION METHOD THEREOF SHOWA DENKO K.K. (JP) 2010-08-05 WO disclosed