SCHEMBL26459294

SCHEMBL26459294

Nn1nc(-c2ccccc2)cc1-c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.46
POLB P06746 1/20 0.46
ALDH1A1 P00352 6/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.43
KDM4E B2RXH2 5/20 0.42
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
CYP2C9 P11712 1/20 0.41
PKM P14618 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
HPGD P15428 2/20 0.41
NFKB1 P19838 1/20 0.41
HTT P42858 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
EGFR P00533 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL27645783 0.78 LMNA (0.41) MAPTALDH1A1L3MBTL1SMN1; SMN2KDM4E
SCHEMBL27645709 0.78 KDM4E (0.39) MAPTALDH1A1L3MBTL1SMN1; SMN2KDM4E
SCHEMBL822565 0.75 ALDH1A1 (0.53) MAPTPOLBALDH1A1KMT2A
SCHEMBL27654543 0.75 SMN1; SMN2 (0.45) MAPTALDH1A1L3MBTL1SMN1; SMN2KDM4E
SCHEMBL2458758 0.73 MAPT (0.61) MAPTPOLBALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL1198398 0.73 RAB9A (0.65) MAPTALDH1A1L3MBTL1SMN1; SMN2KDM4E
SCHEMBL3844205 0.73 KMT2A (0.47) MAPTPOLBALDH1A1KDM4EPKM
SCHEMBL31621281 0.72 MAPT (0.47) MAPTPOLBALDH1A1SMN1; SMN2KDM4E
SCHEMBL3852411 0.72 RAB9A (0.62) MAPTALDH1A1L3MBTL1SMN1; SMN2KDM4E
SCHEMBL9121292 0.72 MAPT (0.44) MAPTPOLBALDH1A1L3MBTL1SMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023073115-A1 PROTEIN AGGREGATION INHIBITING COMPOUNDS FOR PLANT DISEASE CONTROL MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2023-05-04 WO disclosed
EP-4173485-A1 PROTEIN AGGREGATION INHIBITING COMPOUNDS FOR PLANT DISEASE CONTROL Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2023-05-03 EP disclosed