SCHEMBL28679792

SCHEMBL28679792

NC(=O)OCCc1ccc(Br)cc1F

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.47
PDPK1 O15530 1/20 0.46
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MTNR1B P49286 1/20 0.39
AKR1B1 P15121 3/20 0.39
AKR1A1 P14550 1/20 0.39
LMNA P02545 1/20 0.38
BMP1 P13497 1/20 0.38
NPC1 O15118 1/20 0.37
FPR2 P25090 2/20 0.37
FPR3 P25089 1/20 0.37
PARP15 Q460N3 1/20 0.36
PARP10 Q53GL7 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
SCHEMBL14720671 0.84 PDPK1 (0.46) DGAT1PDPK1MEN1KMT2AMTNR1B
SCHEMBL28681184 0.83 AKR1B1 (0.39) AKR1B1LMNANPC1PARP10
SCHEMBL29086718 0.81 LMNA (0.38) MEN1KMT2ALMNA
SCHEMBL29086611 0.81 ALOX5 (0.37) DGAT1LMNA
SCHEMBL28688751 0.79 LMNA (0.36) DGAT1LMNANPC1
SCHEMBL28681205 0.79 LMNA (0.36) MEN1KMT2ALMNANPC1
SCHEMBL26938435 0.79 PDPK1 (0.56) DGAT1PDPK1MTNR1BNPC1FPR2
SCHEMBL15087374 0.77 TAAR1 (0.52) LMNAPARP15PARP10
SCHEMBL31551664 0.75 DGAT1 (0.55) DGAT1PDPK1MEN1KMT2AAKR1B1
SCHEMBL538344 0.75 DGAT1 (0.55) DGAT1PDPK1MEN1KMT2AAKR1B1

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
CN-109071560-B Thienopyridine carboxamides as ubiquitin-specific protease inhibitors 瓦洛健康公司 2022-01-14 CN disclosed