SCHEMBL7547894

SCHEMBL7547894

Cc1ccccc1CC(=O)c1ccnc(N)c1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
SHBG P04278 1/20 0.45
CTBP2 P56545 1/20 0.40
NAPRT Q6XQN6 1/20 0.39
HTT P42858 1/20 0.38
CNR2 P34972 2/20 0.38
NR3C2 P08235 1/20 0.38
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 1/20 0.37
KDM5A P29375 2/20 0.37
KDM4C Q9H3R0 2/20 0.37
KDM5B Q9UGL1 2/20 0.37
KDM4A O75164 1/20 0.37
ANO1 Q5XXA6 1/20 0.37
MAPK8 P45983 1/20 0.36
SLC26A4 O43511 1/20 0.36
MAOB P27338 1/20 0.36

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
SCHEMBL7546276 0.88 MEN1 (0.45) MAPTMEN1KMT2ASHBGCTBP2
SCHEMBL8805065 0.84 SHBG (0.44) MEN1KMT2ASHBGCTBP2NAPRT
SCHEMBL7551790 0.83 SGMS2 (0.36) MAPTSHBGNAPRTHTTNR3C2
SCHEMBL7546700 0.81 ALOX5 (0.39) MEN1KMT2ANAPRTKDM4E
SCHEMBL9059311 0.80 NAPRT (0.34) KMT2ANAPRTKDM4EKDM4CKDM5B
SCHEMBL7546681 0.78 TDP1 (0.37) KMT2ANAPRTKDM4ENOS3NOS2
SCHEMBL7553608 0.78 NAPRT (0.46) KMT2ANAPRTALDH1A1HPGDKDM5A
SCHEMBL8799100 0.77 KDM4E (0.44) KMT2ANAPRTKDM4EKDM4CKDM5B
SCHEMBL8798744 0.76 NAPRT (0.44) KMT2ANAPRTKDM4EALDH1A1HPGD
SCHEMBL7547531 0.76 NAPRT (0.44) KMT2ANAPRTKDM4EALDH1A1HPGD

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-1997049708-A9 TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS 1998-05-22 WO disclosed