SCHEMBL5809208

SCHEMBL5809208

Cc1c(C)n(CCC(C)C)c2c(OCC(C)C)nccc12

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
MAOA P21397 1/20 0.33
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
DYRK1A Q13627 2/20 0.32
AAK1 Q2M2I8 1/20 0.32
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
POLB P06746 1/20 0.32
HRH4 Q9H3N8 1/20 0.32
ACACB O00763 1/20 0.32
MAPT P10636 2/20 0.31
LMNA P02545 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
KRAS P01116 1/20 0.30
JMJD6 Q6NYC1 1/20 0.30

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
Hydrochloric Acid SCHEMBL5806758 0.99 ALDH1A1 (0.33) ALDH1A1MAOATSHRMAPK1DYRK1A
Hydrochloric Acid SCHEMBL5811037 0.88 ALDH1A1 (0.33) ALDH1A1TSHRMAPK1DYRK1AKMT2A
SCHEMBL5806831 0.88 MAOA (0.35) ALDH1A1MAOATSHRDYRK1AAAK1
SCHEMBL5810011 0.87 KMT2A (0.35) ALDH1A1MAOATSHRDYRK1AAAK1
SCHEMBL5806968 0.86 DYRK1A (0.35) ALDH1A1MAOATSHRMAPK1DYRK1A
Hydrochloric Acid SCHEMBL5805951 0.86 MAOA (0.34) ALDH1A1MAOATSHRDYRK1AAAK1
Hydrochloric Acid SCHEMBL5806152 0.86 KMT2A (0.34) ALDH1A1MAOATSHRDYRK1AAAK1
Hydrochloric Acid SCHEMBL5806051 0.85 DYRK1A (0.34) ALDH1A1MAOAMAPK1DYRK1AAAK1
SCHEMBL5806633 0.85 LMNA (0.33) ALDH1A1MAOATSHRAAK1KMT2A
SCHEMBL5806151 0.84 MAOA (0.33) MAOADYRK1A

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-2006025717-A1 PYRROLO[2,3-c]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2006-03-09 WO claimed