SCHEMBL14005755

SCHEMBL14005755

O=[N+]([O-])c1ccc(NCCN(Cc2ccccn2)Cc2ccccn2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
LIN28A Q9H9Z2 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
KMT2A Q03164 4/20 0.49
MEN1 O00255 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.46
POLB P06746 1/20 0.46
ALDH1A1 P00352 5/20 0.45
LMNA P02545 1/20 0.44
CYP3A4 P08684 2/20 0.43
CYP1A2 P05177 1/20 0.43
PTPRF P10586 1/20 0.42
PTPN2 P17706 1/20 0.42
PTPN1 P18031 1/20 0.42
PTPN11 Q06124 1/20 0.42
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 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
SCHEMBL4843988 0.83 ALDH1A1 (0.61) MAPTTDP1KMT2AMEN1NPC1
SCHEMBL14393598 0.82 MAPT (0.66) MAPTSMN1; SMN2LIN28ATDP1KMT2A
Hydrochloric Acid SCHEMBL6794141 0.82 ALDH1A1 (0.60) MAPTTDP1KMT2AMEN1NPC1
SCHEMBL21844998 0.80 SMN1; SMN2 (0.58) MAPTSMN1; SMN2LIN28ATDP1KMT2A
SCHEMBL64699 0.80 MAOA (0.61) MAPTSMN1; SMN2LIN28ATDP1KMT2A
SCHEMBL3708321 0.80 MAOA (0.63) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL56881 0.79 ALDH1A1 (0.59) MAPTSMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL21845051 0.78 RAB9A (0.53) MAPTSMN1; SMN2LIN28ATDP1NPC1
SCHEMBL16805287 0.74 MAPT (0.54) MAPTSMN1; SMN2LIN28ATDP1KMT2A
SCHEMBL18741270 0.74 KMT2A (0.50) MAPTSMN1; SMN2LIN28ATDP1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE40572-E1 Fluorescent probe for the quantitation of zinc SEKISUI MEDICAL CO., LTD. (JP) 2008-11-11 US disclosed
US-RE40572-E1 Fluorescent probe for the quantitation of zinc SEKISUI MEDICAL CO., LTD. (JP) 2008-11-11 US disclosed