SCHEMBL5309386

SCHEMBL5309386

COCNC(=O)c1cnc(-c2ccccc2)cn1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.55
DGAT2 Q96PD7 1/20 0.50
SLC16A3 O15427 1/20 0.49
BAZ2B Q9UIF8 1/20 0.43
HPGDS O60760 2/20 0.43
HIF1A Q16665 3/20 0.42
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
POLB P06746 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
CYP2C19 P33261 1/20 0.40
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NAAA Q02083 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
LDHA P00338 1/20 0.39

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
SCHEMBL25223880 0.82 CYP3A4 (0.55) CYP3A4DGAT2SLC16A3BAZ2BHPGDS
SCHEMBL25213243 0.79 MEN1 (0.49) CYP3A4SLC16A3BAZ2BALDH1A1KDM4E
SCHEMBL3593544 0.76 ATR (0.63) CYP3A4ATM
SCHEMBL753759 0.76 ALDH1A1 (0.59) CYP3A4ALDH1A1KDM4EPOLBCYP1A2
SCHEMBL5100085 0.74 EGLN1 (0.52) ALDH1A1HPGD
SCHEMBL5305431 0.74 LDHA (0.49) CYP3A4SLC16A3BAZ2BALDH1A1HPGD
SCHEMBL2929188 0.73 LDHA (0.56) CYP3A4BAZ2BALDH1A1KDM4EHPGD
SCHEMBL24993570 0.73 ALDH1A1 (0.56) CYP3A4DGAT2ALDH1A1KDM4EPOLB
SCHEMBL306105 0.73 SMN1; SMN2 (0.62) ALDH1A1KDM4EHPGDL3MBTL1MEN1
SCHEMBL5270543 0.72 P4HTM (0.64) HIF1AALDH1A1KDM4EMEN1KMT2A

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
WO-2007034282-A2 DIARYL-IMIDAZOLE COMPOUNDS CONDENSED WITH A HETEROCYCLE AS C3A RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2007-03-29 WO disclosed