SCHEMBL31480992

SCHEMBL31480992

Nc1ccc(C2(CO)CC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
LMNA P02545 2/20 0.42
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
POLB P06746 1/20 0.37
SLC6A4 P31645 4/20 0.37
SLC6A2 P23975 2/20 0.37
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
PRKAB2 O43741 3/20 0.35
PRKAG1 P54619 3/20 0.35
PRKAA2 P54646 3/20 0.35
PRKAA1 Q13131 3/20 0.35
PRKAG3 Q9UGI9 3/20 0.35
PRKAG2 Q9UGJ0 3/20 0.35
PRKAB1 Q9Y478 3/20 0.35
CYP3A4 P08684 3/20 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
SCHEMBL6014515 0.91 ALDH1A1 (0.47) ALDH1A1L3MBTL1LMNAPOLBSLC6A4
SCHEMBL16423362 0.86 HDAC1 (0.39) ALDH1A1L3MBTL1LMNAPOLBALOX15
SCHEMBL7055234 0.79 ESR2 (0.48) ALDH1A1LMNAMAOAMAOBTAAR1
SCHEMBL8353941 0.77 L3MBTL1 (0.41) ALDH1A1L3MBTL1LMNAMAOAMAOB
SCHEMBL3615305 0.77 SLC6A4 (0.52) ALDH1A1MAOAMAOBSLC6A4SLC6A2
SCHEMBL14710296 0.77 SLC6A4 (0.37) MAOAMAOBTAAR1SLC6A4SLC6A2
SCHEMBL7704791 0.77 SLC6A3 (0.52) MAOAMAOBSLC6A4SLC6A2PRKAB2
SCHEMBL5645623 0.77 SLC6A2 (0.37) MAOAMAOBTAAR1SLC6A4SLC6A2
SCHEMBL4275 0.77 ALDH1A1 (0.38) ALDH1A1L3MBTL1LMNAMAOAMAOB
SCHEMBL14176143 0.77 CYP19A1 (0.46) ALDH1A1L3MBTL1LMNAMAOAMAOB

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-2025054339-A1 TRIAZOLOPYRIDINE COMPOUNDS AS INHIBITORS OF KIT ARCUS BIOSCIENCES, INC. (US) 2025-03-13 WO disclosed