SCHEMBL5810011

SCHEMBL5810011

COCCn1c(C)c(C)c2ccnc(OCC(C)C)c21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
NR2F2 P24468 1/20 0.35
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
CASR P41180 9/20 0.33
NFATC1 O95644 1/20 0.33
GSK3B P49841 1/20 0.33
DYRK1A Q13627 1/20 0.33
MAOA P21397 1/20 0.32
AAK1 Q2M2I8 1/20 0.32
POLB P06746 1/20 0.32
PKM P14618 1/20 0.32
HTR1A P08908 1/20 0.32
HTR2A P28223 1/20 0.32
HTR7 P34969 1/20 0.32
HTR6 P50406 1/20 0.32
TP53 P04637 1/20 0.31

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 SCHEMBL5806152 0.99 KMT2A (0.34) KMT2AMEN1NPC1RAB9ANR2F2
Hydrochloric Acid SCHEMBL5809596 0.88 KMT2A (0.34) KMT2AMEN1NPC1RAB9ANR2F2
SCHEMBL5806633 0.88 LMNA (0.33) KMT2AMEN1RAB9AALDH1A1KDM4E
SCHEMBL5809208 0.87 ALDH1A1 (0.33) KMT2AMEN1ALDH1A1DYRK1AMAOA
SCHEMBL5806151 0.87 MAOA (0.33) DYRK1AMAOA
Hydrochloric Acid SCHEMBL5806688 0.87 LMNA (0.33) KMT2AMEN1RAB9AALDH1A1KDM4E
Hydrochloric Acid SCHEMBL5810471 0.86 MAOA (0.33) DYRK1AMAOA
Hydrochloric Acid SCHEMBL5806758 0.86 ALDH1A1 (0.33) KMT2AMEN1ALDH1A1DYRK1AMAOA
Hydrochloric Acid SCHEMBL5811396 0.86 MAOA (0.32) DYRK1AMAOA
SCHEMBL5806831 0.85 MAOA (0.35) KMT2AMEN1NPC1RAB9AALDH1A1

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