SCHEMBL23812490

SCHEMBL23812490

O=C(Oc1c(F)c(F)cc(F)c1F)c1ccc(SF)nc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ KDM4E B2RXH2 2/20 0.36
▸ MAPK1 P28482 2/20 0.36
▸ HTT P42858 1/20 0.36
▸ CA2 P00918 1/20 0.35
▸ CA4 P22748 1/20 0.35
▸ CXCR2 P25025 4/20 0.34
▸ CXCR1 P25024 2/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ KMT2A Q03164 2/20 0.33
▸ BRAF P15056 1/20 0.33
▸ MAOB P27338 1/20 0.33
▸ MEN1 O00255 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
SCHEMBL416586 0.82 KCNQ3 (0.41) ALDH1A1NPC1RAB9AKDM4EMAPK1
SCHEMBL6726735 0.82 KCNQ3 (0.41) ALDH1A1NPC1RAB9AKDM4EMAPK1
SCHEMBL29525674 0.82 KCNQ3 (0.41) ALDH1A1NPC1RAB9AKDM4EMAPK1
SCHEMBL6726742 0.81 KMT2A (0.50) KDM4EMAPK1L3MBTL1KMT2AMEN1
SCHEMBL19816909 0.81 MAPK1 (0.53) ALDH1A1NPC1RAB9AKDM4EMAPK1
SCHEMBL19360803 0.80 MAPK1 (0.37) ALDH1A1NPC1RAB9AKDM4EMAPK1
SCHEMBL10001386 0.80 NAPRT (0.47) NPC1RAB9AL3MBTL1
SCHEMBL29815064 0.80 NAPRT (0.47) NPC1RAB9AL3MBTL1
SCHEMBL24339409 0.79 POLB (0.34) ALDH1A1KDM4EHTTCA2CA4
SCHEMBL17544977 0.79 ALOX5AP (0.41) KDM4EMAPK1L3MBTL1MAOBHDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022117714-A1 IMAGING METHODS AND RADIOTRACERS FOR USE THEREIN VESTLANDETS INNOVASJONS SELSKAP AS (VIS) (NO) 2022-06-09 — — WO disclosed
EP-3222615-B1 PSMA-BINDING AGENTS AND USES THEREOF UNIV JOHNS HOPKINS (US) 2022-05-04 — — EP disclosed
EP-3183236-B1 METHOD FOR THE PRODUCTION OF 18F-LABELED ACTIVE ESTERS AND THEIR APPLICATION EXEMPLIFIED BY THE PREPARATION OF A PSMA-SPECIFIC PET-TRACER MAX PLANCK GESELLSCHAFT ZUR FOERDERUNG DER WSS (DE) 2022-04-20 — — EP disclosed
EP-3353152-B1 METHOD NORSK MEDISINSK SYKLOTRONSENTER AS (NO) 2021-09-15 — — EP disclosed
EP-3222615-A1 PSMA-BINDING AGENTS AND USES THEREOF The Johns Hopkins University (US) 2017-09-27 — — EP disclosed
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