SCHEMBL29176554

SCHEMBL29176554

CC(C)(C)OC(=O)N1CCCCC1c1nnc(CCc2ccccc2)o1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.56
TSHR P16473 7/20 0.56
LMNA P02545 6/20 0.56
KMT2A Q03164 4/20 0.56
MEN1 O00255 3/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
MAPT P10636 2/20 0.56
NPSR1 Q6W5P4 2/20 0.56
TP53 P04637 2/20 0.51
GLA P06280 1/20 0.51
HTT P42858 1/20 0.49
POLB P06746 1/20 0.47
GAA P10253 2/20 0.47
PKM P14618 1/20 0.47
THRB P10828 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL29176551 1.00 ALDH1A1 (0.56) ALDH1A1TSHRLMNAKMT2AMEN1
SCHEMBL29176487 0.94 TSHR (0.54) ALDH1A1TSHRLMNAKMT2AMEN1
SCHEMBL29176486 0.94 TSHR (0.54) ALDH1A1TSHRLMNAKMT2AMEN1
SCHEMBL27207832 0.86 PKM (0.52) ALDH1A1KMT2AMEN1L3MBTL1MAPT
SCHEMBL27230216 0.86 PKM (0.52) ALDH1A1KMT2AMEN1L3MBTL1MAPT
SCHEMBL29176498 0.81 CPT1A (0.47) ALDH1A1TSHRLMNAKMT2AMEN1
SCHEMBL29176499 0.81 CPT1A (0.47) ALDH1A1TSHRLMNAKMT2AMEN1
SCHEMBL27232330 0.80 RAB9A (0.55) ALDH1A1LMNAKMT2AMEN1MAPT
SCHEMBL17243776 0.79 ALDH1A1 (0.55) ALDH1A1TSHRLMNAKMT2AMEN1
SCHEMBL4955786 0.78 ALDH1A1 (0.60) ALDH1A1TSHRLMNAKMT2AMEN1

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-117730079-A Heterocyclyl-substituted polyheterazoles derivatives as medicaments for the treatment and/or prophylaxis of RSV infections 亚博思生物科技(第一)有限公司 2024-03-19 CN disclosed