SCHEMBL5445708

SCHEMBL5445708

Cc1ccccc1C(=O)NC(=S)Nc1ccc(F)cc1F

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.62
KDM4E B2RXH2 4/20 0.62
POLB P06746 1/20 0.62
ALOX12 P18054 3/20 0.60
MAPT P10636 6/20 0.60
KMT2A Q03164 4/20 0.60
MEN1 O00255 2/20 0.56
LMNA P02545 2/20 0.56
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
CACNA1B Q00975 1/20 0.54
APBA1 Q02410 1/20 0.54
HTT P42858 1/20 0.54
L3MBTL1 Q9Y468 3/20 0.54
MAPK1 P28482 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
TDP1 Q9NUW8 1/20 0.54
PKM P14618 1/20 0.52
HPGD P15428 1/20 0.52
TP53 P04637 1/20 0.50

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
SCHEMBL30739657 0.86 MAPT (0.66) ALDH1A1KDM4EPOLBMAPTKMT2A
SCHEMBL12225784 0.86 MAPT (0.66) ALDH1A1KDM4EPOLBMAPTKMT2A
SCHEMBL5445940 0.85 ALDH1A1 (0.62) ALDH1A1KDM4EPOLBMAPTKMT2A
SCHEMBL24769824 0.81 EPHX1 (0.57) ALDH1A1POLBMAPTKMT2AMEN1
SCHEMBL14825211 0.81 ALDH1A1 (0.73) ALDH1A1KDM4EPOLBALOX12MAPT
SCHEMBL5456687 0.80 ALDH1A1 (0.67) ALDH1A1KDM4EPOLBALOX12MAPT
SCHEMBL5450444 0.78 GRM1 (0.55) ALDH1A1KDM4EPOLBMAPTKMT2A
SCHEMBL5447995 0.77 MAPT (0.68) ALDH1A1KDM4EPOLBALOX12MAPT
SCHEMBL5457277 0.76 ALDH1A1 (0.74) ALDH1A1KDM4EPOLBALOX12MAPT
SCHEMBL30739720 0.76 MAPT (0.59) ALDH1A1KDM4EPOLBMAPTKMT2A

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-20070040151-A1 Two-component initiator system (amine-free) with very good storage stability and particular suitability for acid systems HERAEUS KULZER GMBH (DE) 2007-02-22 US disclosed