SCHEMBL4574595

SCHEMBL4574595

C=C(c1ccc(Cl)cc1C)N1CCCC1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.46
NPC1 O15118 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
HPGD P15428 2/20 0.46
TSHR P16473 1/20 0.46
KMT2A Q03164 6/20 0.44
MEN1 O00255 5/20 0.44
ALDH1A1 P00352 2/20 0.44
RAB9A P51151 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
HTT P42858 3/20 0.43
GAA P10253 1/20 0.43
MAPK1 P28482 1/20 0.43
MAPT P10636 1/20 0.42
ALOX12 P18054 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL4963151 0.80 HPGD (0.44) HPGDTSHRALDH1A1RAB9A
SCHEMBL21148184 0.80 HPGD (0.46) LMNANPC1SMN1; SMN2HPGDTSHR
SCHEMBL24016888 0.79 HPGD (0.55) LMNANPC1SMN1; SMN2HPGDTSHR
SCHEMBL17327862 0.77 KMT2A (0.41) LMNANPC1SMN1; SMN2HPGDTSHR
SCHEMBL4735120 0.75 HTT (0.56) LMNANPC1SMN1; SMN2HPGDKMT2A
SCHEMBL4574011 0.74 SMN1; SMN2 (0.50) LMNANPC1SMN1; SMN2HPGDTSHR
SCHEMBL16078374 0.72 FLT1 (0.44) NPC1SMN1; SMN2TSHRKMT2AMEN1
SCHEMBL7191112 0.70 HPGD (0.46) NPC1HPGDTSHRKMT2AALDH1A1
SCHEMBL5771336 0.70 HPGD (0.44) LMNANPC1SMN1; SMN2HPGDKMT2A
SCHEMBL4574791 0.70 MEN1 (0.45) NPC1HPGDKMT2AMEN1ALDH1A1

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-2008095912-A2 ENANTIOPURE PHARMACOLOGICALLY ACTIVE TRICYCLIC BENZIMIDAZOLES NYCOMED GMBH (DE) 2008-08-14 WO disclosed