SCHEMBL9126866

SCHEMBL9126866

S=C(Nc1ccccc1)Nc1ncccc1OCc1c(Cl)cccc1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPIA P62937 9/20 0.52
▸ SGMS2 Q8NHU3 3/20 0.51
▸ MAPT P10636 3/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ RXFP1 Q9HBX9 1/20 0.47
▸ LMNA P02545 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ ALOX12 P18054 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ RECQL P46063 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ SGMS1 Q86VZ5 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
SCHEMBL9126359 0.92 SGMS2 (0.55) PPIASGMS2MAPTALDH1A1RXFP1
SCHEMBL9124740 0.92 PPIA (0.55) PPIASGMS2MAPTALDH1A1LMNA
SCHEMBL9126609 0.86 PPIA (0.53) PPIASGMS2SGMS1
SCHEMBL9126321 0.85 SGMS2 (0.50) PPIASGMS2MAPTALDH1A1LMNA
SCHEMBL9124294 0.85 PPIA (0.50) PPIASGMS2MAPTALDH1A1LMNA
SCHEMBL9125099 0.84 PPIA (0.72) PPIACYP1A2CYP2C19MEN1KMT2A
SCHEMBL9124394 0.83 PPIA (0.68) PPIACYP1A2HPGDALOX12CYP2C19
SCHEMBL9125275 0.83 PPIF (0.49) PPIASGMS2MAPTALDH1A1LMNA
SCHEMBL9126341 0.81 PPIA (0.56) PPIASGMS2MAPTALDH1A1LMNA
SCHEMBL9123738 0.81 PPIF (0.55) PPIASGMS2MAPTALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5409943-A [(alkoxy)pyridinyl]amine compounds which are useful in the treatment of gastrointestinal disorders SMITHKLINE BEECHAM INTERCREDIT B.V. (NL) 1995-04-25 — — US disclosed
EP-0625143-A1 PYRIDINE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICINES SMITHKLINE BEECHAM INTERCREDIT B.V. (NL) 1994-11-23 — — EP disclosed
WO-1993015055-A1 PYRIDINE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICINES SMITHKLINE BEECHAM INTERCREDIT B.V. (NL) 1993-08-05 — — WO disclosed
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