SCHEMBL6669942

SCHEMBL6669942

Fc1cc(Cc2cccnc2)ccc1-n1n[c]nn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 3/20 0.43
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 1/20 0.38
PABPC1 P11940 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
GRM5 P41594 1/20 0.37
CYP11B1 P15538 3/20 0.36
CYP11B2 P19099 3/20 0.36
LTA4H P09960 1/20 0.36
NR1D1 P20393 1/20 0.36
NR1H3 Q13133 1/20 0.36
TBXAS1 P24557 2/20 0.36
CYP19A1 P11511 1/20 0.36
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
BLM P54132 1/20 0.35
GPR52 Q9Y2T5 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
SCHEMBL6672519 0.80 GRM5 (0.39) KDM4EGRM5CYP11B1CYP11B2LTA4H
SCHEMBL29442825 0.70 MEN1 (0.47) P2RX7MEN1KMT2AMAPTPABPC1
SCHEMBL28701298 0.70 MEN1 (0.47) P2RX7MEN1KMT2AMAPTPABPC1
SCHEMBL24833581 0.68 GRIN2B (0.46) MEN1KMT2AMAPTPABPC1ALDH1A1
SCHEMBL30862000 0.67 NR1D1 (0.48) MEN1KMT2AMAPTPABPC1KDM4E
SCHEMBL3512964 0.67 NR1D1 (0.48) MEN1KMT2AMAPTPABPC1KDM4E
SCHEMBL7673699 0.67 NR1D1 (0.48) KDM4EALDH1A1CYP11B1CYP11B2NR1D1
SCHEMBL29442877 0.67 CYP17A1 (0.56) KDM4EALDH1A1CYP11B1CYP11B2CYP3A4
SCHEMBL727185 0.66 CYP1A2 (0.62) TDP1CYP11B1CYP11B2TBXAS1CHRNA7
SCHEMBL10487072 0.66 PKM (0.51) KMT2AALDH1A1GRM5CYP11B1CYP11B2

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-2004030637-A2 TREATMENT OF OBESITY AND OTHER DISORDERS ASSOCIATED WITH EXCESSIVE FOOD INTAKE MERCK & CO., INC. (US) 2004-04-15 WO claimed