SCHEMBL9044724

SCHEMBL9044724

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

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 5/20 0.39
POLB P06746 1/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 5/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
BLM P54132 1/20 0.35
MAPT P10636 3/20 0.35
HSD17B10 Q99714 2/20 0.34
HTR6 P50406 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
LMNA P02545 1/20 0.34
RECQL P46063 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
SCHEMBL9043709 0.82 ALDH1A1 (0.42) MEN1KMT2AALDH1A1L3MBTL1MAPT
SCHEMBL9694466 0.82 FFAR1 (0.39) FFAR1POLBMEN1KMT2AALDH1A1
SCHEMBL9043196 0.82 FFAR1 (0.39) FFAR1POLBMEN1KMT2AALDH1A1
SCHEMBL9043138 0.80 FFAR1 (0.38) FFAR1POLBMEN1KMT2AALDH1A1
SCHEMBL9044928 0.76 ALDH1A1 (0.44) FFAR1POLBMEN1KMT2AALDH1A1
SCHEMBL9044002 0.75 POLB (0.36) FFAR1POLBMEN1KMT2AALDH1A1
SCHEMBL9046268 0.74 MEN1 (0.36) FFAR1POLBMEN1KMT2AALDH1A1
SCHEMBL9043406 0.73 POLB (0.35) POLBMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL8987703 0.71 FFAR1 (0.41) FFAR1
SCHEMBL12844485 0.70 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 2 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
US-5175293-A Substituted 2-aminopyrimidine derivatives CIBA-GEIGY CORPORATION (US) 1992-12-29 US disclosed