SCHEMBL7081202

SCHEMBL7081202

FC(F)(F)c1ccccc1CNCCc1cncn1Cc1ccc2c(c1)OCO2

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.47
ALDH1A1 P00352 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
USP1 O94782 2/20 0.40
WDR48 Q8TAF3 2/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KDM4E B2RXH2 1/20 0.39
FNTA P49354 3/20 0.39
FNTB P49356 3/20 0.39
PGGT1B P53609 3/20 0.39
CYP3A4 P08684 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
HTR5A P47898 1/20 0.38

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
SCHEMBL7086424 0.82 POLB (0.45) POLBMEN1KMT2AFNTAFNTB
SCHEMBL7082328 0.79 ALDH1A1 (0.45) ALDH1A1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL27580313 0.78 ALDH1A1 (0.43) ALDH1A1L3MBTL1MEN1KMT2AHTT
SCHEMBL27559617 0.75 ALDH1A1 (0.40) ALDH1A1L3MBTL1KMT2AUSP1WDR48
SCHEMBL7081814 0.73 SCN8A (0.44) POLBALDH1A1MEN1KMT2AHTT
SCHEMBL7083126 0.73 LMNA (0.44) POLBALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL6599662 0.72 CYP11B1 (0.52) POLBL3MBTL1MEN1KMT2AKDM4E
SCHEMBL7078383 0.71 FNTA (0.53) FNTAFNTBPGGT1B
SCHEMBL27580269 0.71 TSHR (0.62) ALDH1A1L3MBTL1MEN1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL6602509 0.71 FNTA (0.49) POLBL3MBTL1MEN1KMT2AKDM4E

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-1200430-A4 THIOUREA AND ISOTHIOUREA DERIVATIVES FOR INHIBITING RAS-TRANSFORMED CELL GROWTH YUHAN CORP LTD (KR) 2003-01-22 EP disclosed
CN-1376155-A Thiourea and isothiourea derivatives for inhibiting RAS-transformed cell growth YUHAN CORP (KR) 2002-10-23 CN disclosed
EP-1200430-A1 THIOUREA AND ISOTHIOUREA DERIVATIVES FOR INHIBITING RAS-TRANSFORMED CELL GROWTH YUHAN CORPORATION, LTD. (KR) 2002-05-02 EP disclosed
WO-2001009128-A1 THIOUREA AND ISOTHIOUREA DERIVATIVES FOR INHIBITING RAS-TRANSFORMED CELL GROWTH YUHAN CORPORATION (KR) 2001-02-08 WO disclosed