SCHEMBL5599355

SCHEMBL5599355

N#Cc1cc2c(cc1C#N)CN(C(=S)NCCc1ccc(Cl)cc1)CC2

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.67
▸ KMT2A Q03164 4/20 0.67
▸ ALDH1A1 P00352 3/20 0.67
▸ MEN1 O00255 2/20 0.67
▸ LMNA P02545 2/20 0.67
▸ POLB P06746 2/20 0.67
▸ KDM4E B2RXH2 2/20 0.67
▸ GMNN O75496 1/20 0.67
▸ CYP1A2 P05177 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
▸ TSHR P16473 1/20 0.67
▸ ALOX12 P18054 1/20 0.67
▸ NFKB1 P19838 1/20 0.67
▸ MAPK1 P28482 1/20 0.67
▸ CYP2C19 P33261 1/20 0.67
▸ THPO P40225 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
SCHEMBL31657800 0.86 KMT2A (0.87) MAPTKMT2AALDH1A1MEN1LMNA
SCHEMBL5708805 0.86 KMT2A (0.87) MAPTKMT2AALDH1A1MEN1LMNA
SCHEMBL14640683 0.86 MAPT (0.72) MAPTKMT2AALDH1A1MEN1LMNA
SCHEMBL5708706 0.83 KMT2A (0.78) MAPTKMT2AALDH1A1MEN1LMNA
SCHEMBL5708740 0.83 KMT2A (0.78) MAPTKMT2AALDH1A1MEN1LMNA
SCHEMBL5708800 0.83 MAPT (0.71) MAPTKMT2AALDH1A1MEN1LMNA
SCHEMBL5708910 0.83 MAPT (0.71) MAPTKMT2AALDH1A1MEN1LMNA
SCHEMBL5599420 0.83 MAPT (0.67) MAPTKMT2AALDH1A1MEN1LMNA
SCHEMBL5599581 0.83 KMT2A (0.67) MAPTKMT2AALDH1A1MEN1LMNA
SCHEMBL31657812 0.83 MEN1 (0.67) MAPTKMT2AALDH1A1MEN1LMNA

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