SCHEMBL9870952

SCHEMBL9870952

FC(F)(F)c1cccc(NC=S)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.55
KMT2A Q03164 5/20 0.55
ALDH1A1 P00352 6/20 0.54
MAPT P10636 6/20 0.54
GAA P10253 3/20 0.54
NPSR1 Q6W5P4 2/20 0.54
TDP1 Q9NUW8 1/20 0.54
L3MBTL1 Q9Y468 2/20 0.51
IDO1 P14902 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.49
RAB9A P51151 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C19 P33261 1/20 0.49
NPC1 O15118 1/20 0.49
IDH2 P48735 2/20 0.49
HTT P42858 1/20 0.49
KDM4E B2RXH2 1/20 0.47
RAPGEF4 Q8WZA2 1/20 0.47

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
SCHEMBL26422658 0.81 MEN1 (0.55) MEN1KMT2AALDH1A1MAPTGAA
SCHEMBL227216 0.81 MEN1 (0.59) MEN1KMT2AALDH1A1MAPTGAA
SCHEMBL338151 0.79 MAPT (0.41) MAPTIDO1KDM4ERAPGEF4
SCHEMBL10985842 0.78 MAPT (0.55) MEN1KMT2AALDH1A1MAPTGAA
SCHEMBL2925587 0.77 MAPT (0.58) MEN1KMT2AALDH1A1MAPTGAA
SCHEMBL29748950 0.77 MAPT (0.58) MEN1KMT2AALDH1A1MAPTGAA
SCHEMBL394991 0.77 KIF11 (0.70) MEN1KMT2AALDH1A1MAPTGAA
SCHEMBL28825700 0.77 MEN1 (0.55) MEN1KMT2AALDH1A1MAPTGAA
SCHEMBL16842506 0.77 MEN1 (0.55) MEN1KMT2AALDH1A1MAPTGAA
SCHEMBL3246408 0.75 CA1 (0.48) ALDH1A1MAPTGAANPSR1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5025034-A Thromboxane inhibitors NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1991-06-18 US claimed
US-4945106-A Prostaglandins NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1990-07-31 US claimed
US-4596823-A Prostaglandins NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1986-06-24 US claimed
EP-0043292-B1 PROSTAGLANDINS NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1986-01-15 EP claimed
EP-2550266-B1 HETEROCYCLIC COMPOUNDS USEFUL FOR KINASE INHIBITION AMITECH THERAPEUTICS SOLUTIONS INC (US) 2018-05-09 EP disclosed
US-8772307-B2 Substituted spiro compounds and their use for producing pain-relief medicaments GRUENENTHAL GMBH (DE) 2014-07-08 US disclosed
US-4822903-A Fluorinated silica catalyst and preparation of aromatic/aliphatic nitriles in the presence thereof RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1989-04-18 US disclosed
US-4504595-A Fluorinated silica catalyst and preparation of aromatic/aliphatic nitriles in the presence thereof RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1985-03-12 US disclosed
US-4438042-A FROM AMIDES, FLUORINATE SILCEOUS CATALYSTS RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1984-03-20 US disclosed
US-4436669-A CYANATION, DECARBONYLATION, ACID CATALYSTS RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1984-03-13 US disclosed