SCHEMBL29574602

SCHEMBL29574602

O=C(Cl)Cc1ccc(Br)cc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.46
PDPK1 O15530 1/20 0.44
AKR1B1 P15121 8/20 0.42
P2RX7 Q99572 1/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PYCR1 P32322 1/20 0.41
CHRM5 P08912 1/20 0.40
NPC1 O15118 2/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KDM1A O60341 1/20 0.39
AKR1A1 P14550 1/20 0.39
HDAC1 Q13547 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
SCHEMBL8696600 1.00 DGAT1 (0.46) DGAT1PDPK1AKR1B1P2RX7KMT2A
SCHEMBL538344 0.85 DGAT1 (0.55) DGAT1PDPK1AKR1B1P2RX7KMT2A
SCHEMBL31551664 0.85 DGAT1 (0.55) DGAT1PDPK1AKR1B1P2RX7KMT2A
SCHEMBL2588909 0.85 DGAT1 (0.42) DGAT1PDPK1AKR1B1KMT2AMEN1
SCHEMBL16070101 0.85 DGAT1 (0.46) DGAT1PDPK1AKR1B1P2RX7KMT2A
SCHEMBL29574729 0.83 AKR1B1 (0.52) DGAT1PDPK1AKR1B1P2RX7KMT2A
SCHEMBL5835 0.83 AKR1B1 (0.52) DGAT1PDPK1AKR1B1P2RX7KMT2A
SCHEMBL3515626 0.82 PDPK1 (0.56) DGAT1PDPK1AKR1B1P2RX7KMT2A
SCHEMBL12501525 0.82 DGAT1 (0.43) DGAT1PDPK1AKR1B1P2RX7KMT2A
SCHEMBL8444 0.81 DGAT1 (0.46) DGAT1PDPK1AKR1B1P2RX7KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112867712-B Carboxamide as ubiquitin-specific protease inhibitor 瓦洛早期发现股份有限公司 2024-07-16 CN disclosed
CN-116507326-A Compounds as GLP-1R agonists 拓臻制药公司 2023-07-28 CN disclosed
EP-4199919-A1 COMPOUNDS AS GLP-1R AGONISTS Terns Pharmaceuticals, Inc. (US) 2023-06-28 EP disclosed
WO-2022040600-A1 COMPOUNDS AS GLP-1R AGONISTS TERNS PHARMACEUTICALS, INC. (US) 2022-02-24 WO disclosed