SCHEMBL25598317

SCHEMBL25598317

Cn1nc(N2CCCCC2)c2ccc([N+](=O)[O-])cc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.48
MAPT P10636 3/20 0.47
ALDH1A1 P00352 12/20 0.46
HTT P42858 2/20 0.46
MAPK1 P28482 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
LMNA P02545 3/20 0.45
NPSR1 Q6W5P4 2/20 0.45
ALOX12 P18054 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
CYP1A2 P05177 3/20 0.44
CYP3A4 P08684 3/20 0.44
CYP2C19 P33261 3/20 0.44
PKM P14618 1/20 0.44
CYP2D6 P10635 2/20 0.43
CYP2C9 P11712 2/20 0.43
MCOLN3 Q8TDD5 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ACHE P22303 1/20 0.43

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
SCHEMBL16164709 0.88 L3MBTL1 (0.55) GAAMAPTALDH1A1HTTMAPK1
SCHEMBL27756462 0.87 MAPT (0.47) MAPTALDH1A1HTTMAPK1L3MBTL1
SCHEMBL25221087 0.84 DPP4 (0.43) GAAMAPTALDH1A1HTTL3MBTL1
SCHEMBL25269885 0.84 DPP4 (0.43) GAAMAPTALDH1A1HTTL3MBTL1
SCHEMBL30533985 0.84 DPP4 (0.43) GAAMAPTALDH1A1HTTL3MBTL1
SCHEMBL29190649 0.81 HRH4 (0.44) MAPTALDH1A1L3MBTL1LMNASMN1; SMN2
SCHEMBL30833658 0.81 HRH4 (0.44) MAPTALDH1A1L3MBTL1LMNASMN1; SMN2
SCHEMBL19795220 0.80 DDB1 (0.45) GAAALDH1A1HTTL3MBTL1PKM
SCHEMBL25220005 0.79 PPARA (0.43) GAAMAPTALDH1A1HTTL3MBTL1
SCHEMBL25273114 0.79 PPARA (0.43) GAAMAPTALDH1A1HTTL3MBTL1

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-2023102184-A1 BICYCLIC AMINE COMPOUNDS AS CDK12 INHIBITORS INCYTE CORPORATION (US) 2023-06-08 WO disclosed