SCHEMBL30366190

SCHEMBL30366190

CCc1ccc(C(=O)NNc2ccc(Cl)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 9/20 1.00
ALDH1A1 P00352 6/20 1.00
LMNA P02545 3/20 1.00
AGTR1 P30556 2/20 1.00
POLB P06746 2/20 1.00
NPC1 O15118 2/20 1.00
MAPT P10636 2/20 0.76
PTGS2 P35354 6/20 0.75
EGFR P00533 1/20 0.64
KDM4E B2RXH2 1/20 0.60
CTDSP1 Q9GZU7 1/20 0.60
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
TDP1 Q9NUW8 2/20 0.57
RAB9A P51151 1/20 0.54

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
SCHEMBL19234504 0.84 NPC1 (0.72) GAAALDH1A1LMNAAGTR1POLB
SCHEMBL13754018 0.84 NPC1 (0.72) GAAALDH1A1LMNAAGTR1POLB
SCHEMBL28240744 0.82 PTGS2 (1.00) GAAALDH1A1LMNAAGTR1POLB
SCHEMBL28399335 0.79 ALDH1A1 (0.65) GAAALDH1A1LMNAAGTR1POLB
SCHEMBL7040726 0.78 PTGS2 (1.00) GAAALDH1A1LMNAAGTR1POLB
SCHEMBL11566397 0.78 PTGS2 (1.00) GAAALDH1A1LMNAAGTR1POLB
Hydrochloric Acid SCHEMBL11683557 0.78 PTGS2 (0.80) GAAALDH1A1LMNAAGTR1POLB
Hydrochloric Acid SCHEMBL11567963 0.77 PTGS2 (0.97) GAAALDH1A1LMNAAGTR1POLB
SCHEMBL10783110 0.76 PTGS2 (0.62) GAAALDH1A1LMNAAGTR1POLB
SCHEMBL20984105 0.76 GAA (0.60) GAAALDH1A1LMNAAGTR1POLB

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-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