SCHEMBL7106696

SCHEMBL7106696

c1ccc(CCN(CCCN(CCc2ccccn2)CCc2ccccn2)CCc2ccccn2)nc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.57
TDP1 Q9NUW8 2/20 0.57
MAPT P10636 2/20 0.57
LIN28A Q9H9Z2 1/20 0.57
HRH1 P35367 2/20 0.53
CYP1A2 P05177 4/20 0.53
CYP3A4 P08684 1/20 0.53
KDM4E B2RXH2 3/20 0.49
TSHR P16473 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
POLB P06746 1/20 0.49
HRH3 Q9Y5N1 1/20 0.48
LMNA P02545 1/20 0.47
TAAR1 Q96RJ0 1/20 0.47
ALDH1A1 P00352 1/20 0.47
ALOX15 P16050 1/20 0.47
CYP2C19 P33261 2/20 0.45
CYP2D6 P10635 2/20 0.45
CYP2C9 P11712 1/20 0.45
RECQL P46063 1/20 0.45

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
SCHEMBL7105171 0.96 SMN1; SMN2 (0.57) SMN1; SMN2TDP1MAPTLIN28AHRH1
SCHEMBL4961822 0.94 TDP1 (0.63) SMN1; SMN2TDP1MAPTLIN28AHRH1
SCHEMBL30398318 0.86 TDP1 (0.49) SMN1; SMN2TDP1MAPTLIN28AHRH1
SCHEMBL17119750 0.85 HRH1 (0.66) SMN1; SMN2TDP1MAPTLIN28AHRH1
SCHEMBL8511107 0.85 HRH1 (0.66) SMN1; SMN2TDP1MAPTLIN28AHRH1
SCHEMBL4811639 0.85 CYP1A2 (0.63) SMN1; SMN2TDP1MAPTLIN28AHRH1
SCHEMBL20746628 0.85 TDP1 (0.54) SMN1; SMN2TDP1MAPTLIN28AHRH1
SCHEMBL4033092 0.84 TDP1 (0.74) SMN1; SMN2TDP1MAPTLIN28AHRH1
SCHEMBL8772399 0.84 TDP1 (0.81) SMN1; SMN2TDP1MAPTLIN28AHRH1
SCHEMBL23495440 0.82 TDP1 (0.78) SMN1; SMN2TDP1MAPTLIN28AHRH1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0783035-B1 Bleaching system containing Bis-and-Tris-(mu-oxo)-di-manganese complex salts CLARIANT GMBH (DE) 2003-09-24 EP disclosed
US-5942152-A A CATALYST IN BLEACH SYSTEMS FOR BLEACHING TEXTILE MATERIAL AVENTIS RESEARCH & TECHNOLOGIES GMBH & CO. KG (DE) 1999-08-24 US disclosed
EP-0783035-A2 Bleaching system containing Bis-and-Tris-(mu-oxo)-di-manganese complex salts HOECHST AKTIENGESELLSCHAFT (DE) 1997-07-09 EP disclosed