SCHEMBL5809806

SCHEMBL5809806

Cc1ccc(Cn2c(C)c(C)c3ccnc(OCC(C)C)c32)cc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.38
FABP4 P15090 1/20 0.36
P2RX3 P56373 6/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.34
HCRTR2 O43614 1/20 0.33
PPARG P37231 2/20 0.32
ALDH1A1 P00352 2/20 0.32
TSHR P16473 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
P2RX4 Q99571 1/20 0.32
ALOX5AP P20292 1/20 0.32
MAOA P21397 1/20 0.32
CYP19A1 P11511 1/20 0.31
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 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 SCHEMBL5807333 0.99 MCL1 (0.38) MCL1FABP4P2RX3PTGDR2HCRTR2
SCHEMBL5810860 0.92 KDM4E (0.38) FABP4P2RX3PTGDR2ALDH1A1MEN1
Hydrochloric Acid SCHEMBL5809996 0.91 KDM4E (0.37) FABP4P2RX3PTGDR2ALDH1A1MEN1
SCHEMBL5806009 0.91 CYP1A2 (0.39) MCL1FABP4ALDH1A1MEN1KMT2A
SCHEMBL5811300 0.90 FABP4 (0.46) MCL1FABP4PTGDR2PPARGTSHR
Hydrochloric Acid SCHEMBL5808901 0.90 CYP1A2 (0.39) MCL1FABP4ALDH1A1MEN1KMT2A
SCHEMBL5809105 0.90 MAPT (0.42) PTGDR2ALDH1A1MEN1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL5806428 0.89 FABP4 (0.45) MCL1FABP4PTGDR2PPARGTSHR
SCHEMBL5809825 0.89 PPARG (0.40) FABP4PTGDR2HCRTR2PPARGMEN1
Hydrochloric Acid SCHEMBL5806995 0.89 MAPT (0.41) PTGDR2ALDH1A1MEN1KMT2ASMN1; SMN2

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