SCHEMBL10721177

SCHEMBL10721177

CCNc1ccc(C(c2ccc(NCC)cc2)(C(F)(F)F)C(F)(F)F)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.45
▸ ESR2 Q92731 1/20 0.45
▸ MAPT P10636 3/20 0.41
▸ ADRA2A P08913 4/20 0.40
▸ ADRA2B P18089 2/20 0.40
▸ ADRA2C P18825 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ AR P10275 2/20 0.36
▸ KIF11 P52732 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ TRPA1 O75762 1/20 0.34
▸ NR1H2 P55055 1/20 0.33
▸ NR1H3 Q13133 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ HTT P42858 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
SCHEMBL14509577 0.91 ESR1 (0.38) ESR1ESR2MAPTADRA2AADRA2B
SCHEMBL1797711 0.83 KIF11 (0.52) MAPTADRA2AADRA2BADRA2CLMNA
Hydrochloric Acid SCHEMBL28869473 0.81 KIF11 (0.50) MAPTADRA2AADRA2BADRA2CLMNA
Iodide SCHEMBL29229874 0.81 KIF11 (0.50) MAPTADRA2AADRA2BADRA2CLMNA
Bromide SCHEMBL29203652 0.81 KIF11 (0.50) MAPTADRA2AADRA2BADRA2CLMNA
SCHEMBL2080679 0.80 NR1H3 (0.56) SMN1; SMN2NR1H2NR1H3
SCHEMBL4597093 0.79 HSD11B1 (0.44) MAPTADRA2AADRA2BADRA2CSMN1; SMN2
SCHEMBL13884329 0.77 ESR1 (0.46) ESR1ESR2MAPTLMNAKIF11
SCHEMBL526383 0.76 MAPT (0.58) MAPTADRA2AADRA2BADRA2CLMNA
SCHEMBL13798571 0.76 MAPT (0.40) MAPTADRA2AADRA2BADRA2CLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0084269-B1 RADIATION-SENSITIVE POLYIMIDE PRECURSOR COMPOSITION DERIVED FROM A DIARYL FLUORO COMPOUND E.I. DU PONT DE NEMOURS AND COMPANY (US) 1987-10-28 — — EP disclosed
US-4454220-A WITH POLYFUNCTIONAL ACRYLIC COMPOUND AND INITIATOR E. I. DU PONT DE NEMOURS AND COMPANY (US) 1984-06-12 — — US disclosed
US-4430418-A AROMATIC POLYCARBOXYLIC COMPOUND, AND POLYFUNCTIONAL ACRYLATE COMPOUND WITH PROMOTER AND BIIMIDAZOLE E. I. DU PONT DE NEMOURS AND COMPANY (US) 1984-02-07 — — US disclosed
US-4416973-A Radiation-sensitive polyimide precursor composition derived from a diaryl fluoro compound E. I. DU PONT DE NEMOURS & CO. (US) 1983-11-22 — — US disclosed
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