SCHEMBL23280414

SCHEMBL23280414

O=C(O)C1C=CC(C(=O)N2CCOCC2)=CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.41
TSHR P16473 3/20 0.40
HTT P42858 3/20 0.39
HSP90AA1 P07900 2/20 0.39
HSP90AB1 P08238 2/20 0.39
PHGDH O43175 1/20 0.39
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPT P10636 3/20 0.38
PKM P14618 1/20 0.38
POLB P06746 2/20 0.37
KMT2A Q03164 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
ESR1 P03372 1/20 0.37
MCL1 Q07820 1/20 0.37
ESR2 Q92731 1/20 0.37

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
SCHEMBL23095872 0.79 ALDH1A1 (0.40) HPGDTSHRHTTPHGDHGAA
SCHEMBL20221039 0.76 PTPN7 (0.38) TSHRSMN1; SMN2ALDH1A1MAPTPOLB
SCHEMBL23048514 0.73 GABRR1 (0.31)
SCHEMBL1353549 0.73 GABRR1 (0.31)
SCHEMBL30073547 0.69 HSP90AA1 (0.34) HPGDHTTHSP90AA1HSP90AB1ALDH1A1
SCHEMBL20327601 0.69 ALDH1A1 (0.38) HPGDTSHRHTTGAASMN1; SMN2
SCHEMBL19006943 0.69 HPGD (0.41) HPGDTSHRHTTHSP90AA1HSP90AB1
SCHEMBL23280320 0.67 ALDH1A1 (0.33) TSHRGAAALDH1A1POLBKMT2A
SCHEMBL13149373 0.66 ALDH1A1 (0.41) HPGDHTTGAASMN1; SMN2ALDH1A1
SCHEMBL23095875 0.66 KMT2A (0.41) HPGDHTTHSP90AA1HSP90AB1PHGDH

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
EP-3189041-B1 TETRAHYDROISOQUINOLINE DERIVED PRMT5-INHIBITORS CTXT PTY LTD (AU) 2021-04-28 EP disclosed