SCHEMBL30366356

SCHEMBL30366356

O=C(c1ccccc1C(=O)n1ccnc1)n1ccnc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.44
MGLL Q99685 1/20 0.44
CYP19A1 P11511 2/20 0.43
MAPT P10636 1/20 0.42
CYP24A1 Q07973 1/20 0.41
TBXAS1 P24557 1/20 0.40
CYP3A4 P08684 1/20 0.39
IDO1 P14902 1/20 0.39
ELANE P08246 2/20 0.39
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
KDM4E B2RXH2 1/20 0.38
AHR P35869 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL7824907 0.93 ALDH1A1 (0.48) FAAHMGLLCYP19A1CYP24A1TBXAS1
SCHEMBL16486800 0.88 TBXAS1 (0.42) FAAHMGLLCYP19A1MAPTCYP24A1
SCHEMBL395689 0.88 MAPT (0.44) FAAHMGLLCYP19A1MAPTCYP24A1
SCHEMBL10506862 0.88 KMT2A (0.48) CYP19A1MAPTELANEALDH1A1KDM4E
SCHEMBL31664989 0.88 ALDH1A1 (0.50) FAAHMGLLELANEALDH1A1KDM4E
SCHEMBL15763697 0.88 ELANE (0.55) CYP3A4ELANEALDH1A1LMNA
SCHEMBL20572807 0.86 MAPT (0.43) FAAHMGLLCYP19A1MAPTCYP24A1
SCHEMBL10118094 0.85 ALDH1A1 (0.54) TBXAS1CYP3A4ALDH1A1LMNAKDM4E
SCHEMBL1424751 0.82 CYP19A1 (0.47) FAAHMGLLCYP19A1MAPTCYP24A1
SCHEMBL4787316 0.81 P2RX7 (0.47) FAAHMGLLMAPTCYP24A1TBXAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240392220-A1 BRANDY REPLICAS AVA FOOD LABS, INC. 2024-11-28 US disclosed
EP-4408967-A1 BRANDY REPLICAS AVA FOOD LABS, INC. (US) 2024-08-07 EP disclosed
WO-2023055801-A1 BRANDY REPLICAS AVA FOOD LABS, INC. (US) 2023-04-06 WO disclosed