SCHEMBL7463299

SCHEMBL7463299

O=CC=Cc1nc2cc3ccccc3cc2s1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SNCA P37840 3/20 0.38
MAPT P10636 5/20 0.37
RAB9A P51151 4/20 0.37
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
TDP1 Q9NUW8 1/20 0.37
ALDH1A1 P00352 3/20 0.36
ALOX5 P09917 2/20 0.36
TRPA1 O75762 1/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
APP P05067 3/20 0.35
INSR P06213 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NCOA1 Q15788 1/20 0.35
KDM4E B2RXH2 3/20 0.35
POLB P06746 2/20 0.35
NPC1 O15118 2/20 0.35
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL7463297 1.00 SNCA (0.38) SNCAMAPTRAB9AMEN1KMT2A
SCHEMBL7472221 0.83 CYP2A6 (0.43) SNCAMAPTRAB9AMEN1KMT2A
SCHEMBL7465197 0.81 MAPT (0.54) SNCAMAPTRAB9AMEN1KMT2A
SCHEMBL31074949 0.81 MAPT (0.54) SNCAMAPTRAB9AMEN1KMT2A
SCHEMBL7465202 0.81 MAPT (0.54) SNCAMAPTRAB9AMEN1KMT2A
SCHEMBL16151071 0.79 MAPT (0.57) SNCAMAPTRAB9AMEN1KMT2A
SCHEMBL16151070 0.75 CYP3A4 (0.60) MAPTRAB9AMEN1KMT2AALOX5
SCHEMBL16151072 0.75 CYP3A4 (0.60) MAPTRAB9AMEN1KMT2AALOX5
SCHEMBL16155795 0.71 ATP4A (0.56) KMT2AALDH1A1LMNACYP3A4ATP4A
SCHEMBL3139327 0.66 PI4KA (0.58) MAPTRAB9AKMT2AALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0771796-B1 Substituted S-triazines and process for their preparation AGFA GEVAERT (BE) 2002-06-19 EP disclosed
EP-0771796-A1 Substituted S-triazines and process for their preparation HOECHST AKTIENGESELLSCHAFT (DE) 1997-05-07 EP disclosed