SCHEMBL8186542

SCHEMBL8186542

O=C(c1ccc(CO)cc1)N1CCc2sccc2C1c1ccccc1.O=C(c1ccc(Cl)s1)N1CCc2sccc2C1c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HHAT Q5VTY9 2/20 0.44
▸ LHCGR P22888 5/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ LMNA P02545 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ RECQL P46063 1/20 0.39
▸ HTT P42858 1/20 0.36
▸ KMT2A Q03164 1/20 0.36

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
SCHEMBL7880517 0.88 MAPK1 (0.53) HHATLHCGRNPSR1MAPK1
SCHEMBL7880312 0.82 HHAT (0.63) HHATLHCGRNPSR1MAPK1
SCHEMBL7889696 0.82 HHAT (0.63) HHATLHCGRNPSR1MAPK1
SCHEMBL7888339 0.81 MAPK1 (0.60) HHATLHCGRNPSR1MAPK1LMNA
SCHEMBL8226033 0.79 LHCGR (0.59) HHATLHCGRNPSR1MAPK1LMNA
SCHEMBL7887663 0.77 CA12 (0.48) HHATLHCGRNPSR1MAPK1ALDH1A1
SCHEMBL7885990 0.77 NPSR1 (0.51) HHATLHCGRNPSR1MAPK1ALDH1A1
SCHEMBL7880254 0.75 ALDH1A1 (0.60) HHATLHCGRNPSR1MAPK1ALDH1A1
SCHEMBL7885827 0.75 LHCGR (0.67) HHATLHCGRNPSR1MAPK1
SCHEMBL7891897 0.73 LHCGR (0.59) HHATLHCGRNPSR1MAPK1

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
EP-0973778-A1 4,5,6,7-TETRAHYDRO-THIENO 3,2-c]PYRIDINE DERIVATIVES, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 2000-01-26 — — EP disclosed
WO-1998040385-A1 4,5,6,7-TETRAHYDRO-THIENO[3,2-c]PYRIDINE DERIVATIVES, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1998-09-17 — — WO disclosed
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