SCHEMBL29648250

SCHEMBL29648250

c1ccc(-c2cccc3c2CCN3)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 4/20 0.64
PARP11 Q9NR21 4/20 0.64
PRCP P42785 1/20 0.50
PARP1 P09874 6/20 0.44
BCHE P06276 1/20 0.44
ACHE P22303 1/20 0.44
KDM4E B2RXH2 2/20 0.44
MEN1 O00255 2/20 0.44
NPC1 O15118 2/20 0.44
MAPT P10636 2/20 0.44
KMT2A Q03164 2/20 0.44
USP2 O75604 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NISCH Q9Y2I1 1/20 0.41
NOTUM Q6P988 1/20 0.40
GAA P10253 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
HTR2C P28335 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
SCHEMBL4718535 1.00 PARP10 (0.64) PARP10PARP11PRCPPARP1BCHE
SCHEMBL14785203 0.89 PARP10 (0.51) PARP10PARP11PRCPBCHEKDM4E
SCHEMBL20539302 0.86 NOTUM (0.47) PARP10PARP11PARP1BCHEACHE
SCHEMBL30916119 0.86 NOTUM (0.47) PARP10PARP11PARP1BCHEACHE
SCHEMBL15312190 0.85 PARP10 (0.47) PARP10PARP11PRCPPARP1BCHE
SCHEMBL31121854 0.85 PARP10 (0.47) PARP10PARP11PRCPPARP1BCHE
SCHEMBL5871204 0.84 PARP10 (0.46) PARP10PARP11PARP1NOTUMHTR2C
SCHEMBL10921073 0.81 PARP10 (0.48) PARP10PARP11NOTUMHTR2C
SCHEMBL30422322 0.81 PARP1 (0.50) PARP10PARP11PARP1BCHEACHE
SCHEMBL30421478 0.81 PARP10 (0.48) PARP10PARP11NOTUMHTR2C

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-110128415-B Indoline compound used as immunomodulator and preparation method thereof 沈阳药科大学 2022-03-25 CN disclosed