SCHEMBL14307223

SCHEMBL14307223

CCCC1=C(CCC)C(=O)c2ccccc2C1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 4/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
MAPT P10636 6/20 0.48
LMNA P02545 5/20 0.48
SMN1; SMN2 Q16637 5/20 0.48
APAF1 O14727 4/20 0.48
POLB P06746 3/20 0.48
RAB9A P51151 3/20 0.48
HTT P42858 3/20 0.48
KDM4E B2RXH2 3/20 0.48
S100A4 P26447 3/20 0.48
NPC1 O15118 2/20 0.48
MAPK1 P28482 2/20 0.48
BLM P54132 2/20 0.48
TDP2 O95551 2/20 0.48
CES2 O00748 1/20 0.48
TERT O14746 1/20 0.48
PLIN1 O60240 1/20 0.48
S1PR4 O95977 1/20 0.48

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
SCHEMBL14307224 0.94 FGFR1 (0.49) CDC25BMEN1KMT2AMAPTLMNA
SCHEMBL10446608 0.90 FGFR1 (0.42) CDC25BMEN1KMT2AMAPTLMNA
SCHEMBL31611869 0.88 PTPN1 (0.46) MEN1KMT2AMAPTSMN1; SMN2APAF1
SCHEMBL571005 0.87 MAPT (0.53) CDC25BMEN1KMT2AMAPTLMNA
SCHEMBL9628338 0.86 MAPT (0.56) CDC25BMEN1KMT2AMAPTLMNA
SCHEMBL31438079 0.86 DHODH (0.62) CDC25BMEN1KMT2AMAPTLMNA
SCHEMBL9713924 0.86 APAF1 (0.56) CDC25BMEN1KMT2AMAPTLMNA
SCHEMBL9628124 0.84 MAPT (0.61) CDC25BMEN1KMT2AMAPTLMNA
SCHEMBL9628126 0.82 CDC25B (0.49) CDC25BMEN1KMT2AMAPTLMNA
SCHEMBL8258715 0.81 CDC25B (0.46) CDC25BMEN1KMT2AMAPTLMNA

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