SCHEMBL27366803

SCHEMBL27366803

O=C1c2ccccc2C(=O)N1CCc1cccc2ncccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.56
CYP19A1 P11511 1/20 0.53
TBXAS1 P24557 1/20 0.53
ALDH1A1 P00352 5/20 0.52
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
GAA P10253 3/20 0.51
RAB9A P51151 2/20 0.51
MAPT P10636 2/20 0.51
NPC1 O15118 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.46
PDE10A Q9Y233 3/20 0.46
PKM P14618 1/20 0.44
MAPK1 P28482 3/20 0.44
KDM4E B2RXH2 1/20 0.44
USP2 O75604 1/20 0.44
TSHR P16473 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CASP3 P42574 1/20 0.43
POLB P06746 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
SCHEMBL3242823 0.80 MAPT (0.57) HSD17B10ALDH1A1KMT2AMEN1GAA
SCHEMBL8617401 0.79 HSD17B10 (0.59) HSD17B10ALDH1A1KMT2AMEN1GAA
Hydrochloric Acid SCHEMBL8643649 0.78 HSD17B10 (0.57) HSD17B10ALDH1A1KMT2AMEN1GAA
SCHEMBL27366827 0.77 MTNR1B (0.56) HSD17B10ALDH1A1KMT2AMEN1RAB9A
SCHEMBL31331827 0.77 MTNR1B (0.56) HSD17B10ALDH1A1KMT2AMEN1RAB9A
SCHEMBL24618268 0.76 HSD17B10 (0.55) HSD17B10ALDH1A1KMT2AMEN1GAA
SCHEMBL30320210 0.76 HSD17B10 (0.55) HSD17B10ALDH1A1KMT2AMEN1GAA
SCHEMBL6970292 0.73 CYP19A1 (0.54) CYP19A1TBXAS1ALDH1A1KMT2AMEN1
SCHEMBL3281437 0.72 HSD17B10 (1.00) HSD17B10ALDH1A1KMT2AMEN1RAB9A
SCHEMBL4871016 0.72 MAOB (0.58)

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-2023230649-A1 COMPOUNDS Psylo Pty Ltd (AU) 2023-12-07 WO disclosed