SCHEMBL16852341

SCHEMBL16852341

O=c1c2cccc(Cl)c2[nH]c2cc(OS(=O)(=O)C(F)(F)F)cc(O)c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PBRM1 Q86U86 1/20 0.42
▸ DYRK1A Q13627 3/20 0.39
▸ NQO1 P15559 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ CA12 O43570 2/20 0.37
▸ CA1 P00915 2/20 0.37
▸ CA2 P00918 2/20 0.37
▸ CA9 Q16790 2/20 0.37
▸ MCL1 Q07820 3/20 0.37
▸ BCL2L11 O43521 2/20 0.37
▸ BCL2L1 Q07817 2/20 0.37
▸ AR P10275 1/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.35
▸ EGFR P00533 1/20 0.35
▸ DAO P14920 2/20 0.34
▸ CHEK1 O14757 1/20 0.34
▸ WEE1 P30291 1/20 0.34
▸ PTPN1 P18031 1/20 0.34
▸ MAOA P21397 1/20 0.34
▸ ACHE P22303 1/20 0.34

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
SCHEMBL15583711 0.87 DPP3 (0.38) DYRK1ANQO1KDM4ECA12CA1
SCHEMBL5454177 0.83 ABCG2 (0.47) NQO1KDM4ECHEK1WEE1MAOA
SCHEMBL16852336 0.80 PBRM1 (0.49) PBRM1DYRK1ANQO1KDM4EAR
SCHEMBL31085355 0.75 PBRM1 (0.41) PBRM1DYRK1ANQO1KDM4EAR
SCHEMBL15583674 0.75 PBRM1 (0.41) PBRM1DYRK1ANQO1KDM4EAR
SCHEMBL5457154 0.69 MAOA (0.65) MAOAACHEMAOB
SCHEMBL15583675 0.69 PBRM1 (0.41) PBRM1DYRK1ANQO1KDM4ECA12
SCHEMBL14447674 0.66 MAOA (0.74) KDM4EMAOAACHEMAOB
SCHEMBL4172883 0.65 DYRK1A (0.60) PBRM1DYRK1AKDM4ECA12CA9
SCHEMBL29391821 0.65 DYRK1A (0.60) PBRM1DYRK1AKDM4ECA12CA9

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
US-9249249-B2 Light absorbing compounds for optical polymers BAUSCH & LOMB INCORPORATED (US) 2016-02-02 — — US disclosed
US-9249249-B2 Light absorbing compounds for optical polymers BAUSCH & LOMB INCORPORATED (US) 2016-02-02 — — US disclosed
US-20150175732-A1 LIGHT ABSORBING COMPOUNDS FOR OPTICAL POLYMERS BAUSCH & LOMB INCORPORATED (US) 2015-06-25 — — US disclosed
US-20150175732-A1 LIGHT ABSORBING COMPOUNDS FOR OPTICAL POLYMERS BAUSCH & LOMB INCORPORATED (US) 2015-06-25 — — US disclosed
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