SCHEMBL9043196

SCHEMBL9043196

COCc1cc(C)nc(N(N)c2ccccc2)n1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 5/20 0.39
POLB P06746 1/20 0.39
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 4/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
BLM P54132 1/20 0.36
MAPT P10636 2/20 0.36
NCF1 P14598 1/20 0.35
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
LMNA P02545 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
HTR6 P50406 2/20 0.34

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
SCHEMBL9694466 0.83 FFAR1 (0.39) FFAR1POLBMEN1KMT2AALDH1A1
SCHEMBL9044724 0.82 FFAR1 (0.39) FFAR1POLBMEN1KMT2AALDH1A1
SCHEMBL9044331 0.81 ALDH1A1 (0.44) MEN1KMT2AALDH1A1L3MBTL1MAPT
SCHEMBL9043138 0.81 FFAR1 (0.38) FFAR1POLBMEN1KMT2AALDH1A1
SCHEMBL9044928 0.77 ALDH1A1 (0.44) FFAR1POLBMEN1KMT2AALDH1A1
SCHEMBL9044002 0.76 POLB (0.36) FFAR1POLBMEN1KMT2AALDH1A1
SCHEMBL9046268 0.75 MEN1 (0.36) FFAR1POLBMEN1KMT2AALDH1A1
SCHEMBL9043112 0.72 ADORA2A (0.37) POLBMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL8987703 0.72 FFAR1 (0.41) FFAR1
SCHEMBL12844485 0.71 MAPT (0.62) FFAR1POLBMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0358609-B1 Parasiticide compounds CIBA GEIGY AG (CH) 1996-07-24 EP claimed
EP-0358609-A2 Parasiticide compounds CIBA-GEIGY AG (CH) 1990-03-14 EP claimed
EP-0358609-B1 Parasiticide compounds CIBA GEIGY AG (CH) 1996-07-24 EP disclosed
US-5175293-A Substituted 2-aminopyrimidine derivatives CIBA-GEIGY CORPORATION (US) 1992-12-29 US disclosed
EP-0358609-A2 Parasiticide compounds CIBA-GEIGY AG (CH) 1990-03-14 EP disclosed