SCHEMBL5599581

SCHEMBL5599581

S=C(NCCc1ccc(Cl)cc1)N1CCc2cc3c(cc2C1)OCO3

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.67
▸ MAPT P10636 5/20 0.67
▸ ALDH1A1 P00352 5/20 0.67
▸ MEN1 O00255 4/20 0.67
▸ LMNA P02545 4/20 0.67
▸ L3MBTL1 Q9Y468 3/20 0.67
▸ KDM4E B2RXH2 3/20 0.67
▸ TSHR P16473 2/20 0.67
▸ MAPK1 P28482 2/20 0.67
▸ GMNN O75496 1/20 0.67
▸ CYP1A2 P05177 1/20 0.67
▸ POLB P06746 1/20 0.67
▸ CYP3A4 P08684 1/20 0.67
▸ CYP2D6 P10635 1/20 0.67
▸ CYP2C9 P11712 1/20 0.67
▸ HPGD P15428 1/20 0.67
▸ ALOX15 P16050 1/20 0.67
▸ ALOX12 P18054 1/20 0.67
▸ NFKB1 P19838 1/20 0.67
▸ CYP2C19 P33261 1/20 0.67

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
SCHEMBL5708805 0.86 KMT2A (0.87) KMT2AMAPTALDH1A1MEN1LMNA
SCHEMBL14640683 0.86 MAPT (0.72) KMT2AMAPTALDH1A1MEN1LMNA
SCHEMBL31657800 0.86 KMT2A (0.87) KMT2AMAPTALDH1A1MEN1LMNA
SCHEMBL5708740 0.83 KMT2A (0.78) KMT2AMAPTALDH1A1MEN1LMNA
SCHEMBL5708706 0.83 KMT2A (0.78) KMT2AMAPTALDH1A1MEN1LMNA
SCHEMBL5708800 0.83 MAPT (0.71) KMT2AMAPTALDH1A1MEN1LMNA
SCHEMBL5708910 0.83 MAPT (0.71) KMT2AMAPTALDH1A1MEN1LMNA
SCHEMBL5599420 0.83 MAPT (0.67) KMT2AMAPTALDH1A1MEN1LMNA
SCHEMBL31657812 0.83 MEN1 (0.67) KMT2AMAPTALDH1A1MEN1LMNA
SCHEMBL5599355 0.83 MAPT (0.67) KMT2AMAPTALDH1A1MEN1LMNA

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-2007011290-A1 Bronchorelaxing agents based on indol- and isoquinoline derivatives RESPIRATORIUS AB (SE) 2007-01-25 — — WO disclosed
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