SCHEMBL7445162

SCHEMBL7445162

N#CCc1nc[nH]c1-c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.55
KDM4E B2RXH2 2/20 0.55
CYP3A4 P08684 1/20 0.55
IDO1 P14902 4/20 0.44
LMNA P02545 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPK14 Q16539 4/20 0.37
MAT2A P31153 1/20 0.37
DYRK1A Q13627 2/20 0.36
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
HTR3A P46098 1/20 0.35
FLT3 P36888 1/20 0.33
DPP4 P27487 1/20 0.33

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
SCHEMBL7442855 0.77 KDM4E (0.60) MAPTKDM4ECYP3A4IDO1LMNA
SCHEMBL10355251 0.75 CYP3A4 (0.58) MAPTKDM4ECYP3A4IDO1MAPK14
Hydrochloric Acid SCHEMBL7430812 0.75 CYP3A4 (0.58) MAPTKDM4ECYP3A4IDO1LMNA
Hydrochloric Acid SCHEMBL10355391 0.75 KDM4E (0.58) MAPTKDM4ECYP3A4IDO1MAPK14
Bromide SCHEMBL10355410 0.75 CYP3A4 (0.58) MAPTKDM4ECYP3A4IDO1MAPK14
SCHEMBL1502457 0.75 CYP3A4 (0.58) MAPTKDM4ECYP3A4IDO1MAPK14
SCHEMBL1501875 0.74 KDM4E (0.56) MAPTKDM4ECYP3A4IDO1LMNA
Hydrochloric Acid SCHEMBL10355418 0.74 KDM4E (0.56) MAPTKDM4ECYP3A4IDO1MAPK14
SCHEMBL28131043 0.73 KDM4E (0.55) MAPTKDM4ECYP3A4IDO1KMT2A
SCHEMBL11742762 0.72 LMNA (0.45) MAPTKDM4ECYP3A4LMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0397365-B1 Arylthiazolylimidazoles as 5HT3 Antagonists PFIZER (US) 1994-03-02 EP disclosed
EP-0397365-A1 Arylthiazolylimidazoles as 5HT3 Antagonists PFIZER INC. (US) 1990-11-14 EP disclosed
US-4914207-A ANTIEMETICS PFIZER INC. (US) 1990-04-03 US disclosed