SCHEMBL23276752

SCHEMBL23276752

N#CCC1(c2ccc(Br)cc2)CN(C(=O)O)C1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.36
LMNA P02545 3/20 0.35
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
POLB P06746 1/20 0.35
MAPK1 P28482 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NPSR1 Q6W5P4 2/20 0.34
EPHX2 P34913 1/20 0.34
HPGD P15428 3/20 0.33
HSD17B10 Q99714 1/20 0.33
HTT P42858 1/20 0.33
CTSL P07711 1/20 0.32
CTSB P07858 1/20 0.32
CTSS P25774 1/20 0.32
NPC1 O15118 1/20 0.32
RORC P51449 1/20 0.32
FAAH O00519 1/20 0.32

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
SCHEMBL13719744 0.77 HSD11B1 (0.47) LMNAALDH1A1SMN1; SMN2POLBMAPK1
SCHEMBL9764 0.76 CTSL (0.33) LMNAALDH1A1SMN1; SMN2POLBMAPK1
SCHEMBL15156675 0.74 MAPT (0.38) MAPTLMNAALDH1A1SMN1; SMN2MAPK1
SCHEMBL15156081 0.73 OPRM1 (0.43) MAPTLMNAMAPK1HPGDRORC
SCHEMBL15862653 0.73 ALDH1A1 (0.40) MAPTLMNAALDH1A1SMN1; SMN2POLB
SCHEMBL3585852 0.70 HSD11B1 (0.45) MAPTLMNAALDH1A1SMN1; SMN2POLB
SCHEMBL2381444 0.69 CA12 (0.50) ALDH1A1SMN1; SMN2NPSR1NPC1
SCHEMBL19966068 0.69 JAK1 (0.51) RORC
SCHEMBL11198451 0.68 NPSR1 (0.51) MAPTALDH1A1SMN1; SMN2POLBMAPK1
SCHEMBL27674461 0.67 ESR1 (0.46) MAPTHPGD

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-2021078022-A1 SMALL MOLECULE COMPOUND 嘉兴特科罗生物科技有限公司 2021-04-29 WO disclosed