SCHEMBL14307224

SCHEMBL14307224

CCCC1=C(CC)C(=O)c2ccccc2C1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 1/20 0.49
FGFR2 P21802 1/20 0.49
FGFR4 P22455 1/20 0.49
FGFR3 P22607 1/20 0.49
MAPT P10636 6/20 0.46
ALDH1A1 P00352 6/20 0.46
LMNA P02545 5/20 0.46
SMN1; SMN2 Q16637 5/20 0.46
RAB9A P51151 3/20 0.46
NPC1 O15118 2/20 0.46
MAPK1 P28482 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
CDC25B P30305 4/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
APAF1 O14727 4/20 0.42
POLB P06746 3/20 0.42
HTT P42858 3/20 0.42
KDM4E B2RXH2 3/20 0.42
S100A4 P26447 2/20 0.42

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
SCHEMBL14307223 0.94 CDC25B (0.50) FGFR1FGFR2FGFR4FGFR3MAPT
SCHEMBL5820931 0.89 FGFR1 (0.57) FGFR1FGFR2FGFR4FGFR3MAPT
SCHEMBL30004167 0.89 FGFR1 (0.57) FGFR1FGFR2FGFR4FGFR3MAPT
SCHEMBL10446608 0.84 FGFR1 (0.42) FGFR1FGFR2FGFR4FGFR3MAPT
SCHEMBL31611869 0.82 PTPN1 (0.46) FGFR1FGFR2FGFR4FGFR3MAPT
SCHEMBL571005 0.82 MAPT (0.53) MAPTALDH1A1LMNASMN1; SMN2RAB9A
SCHEMBL9628126 0.81 CDC25B (0.49) FGFR1FGFR2FGFR4FGFR3MAPT
SCHEMBL31438079 0.80 DHODH (0.62) FGFR1FGFR2FGFR4FGFR3MAPT
SCHEMBL9713924 0.80 APAF1 (0.56) FGFR1FGFR2FGFR4FGFR3MAPT
SCHEMBL9628338 0.80 MAPT (0.56) MAPTALDH1A1LMNASMN1; SMN2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080020421-A1 METHODS OF SCREENING AGENTS FOR CYTOTOXIC AND ANTIMICROBIAL ACTIVITY NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-01-24 US disclosed