SCHEMBL7764476

SCHEMBL7764476

C=CC[n+]1ccccc1C=Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
ALDH1A1 P00352 2/20 0.47
MAPT P10636 1/20 0.47
STAT3 P40763 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CHAT P28329 4/20 0.44
KDM4A O75164 2/20 0.42
KDM2A Q9Y2K7 2/20 0.42
APOBEC3A P31941 1/20 0.42
GFER P55789 1/20 0.42
APOBEC3G Q9HC16 1/20 0.42
KDM4E B2RXH2 2/20 0.41
CHRNA7 P36544 1/20 0.36
HDAC8 Q9BY41 1/20 0.35
ACHE P22303 1/20 0.35
TSHR P16473 1/20 0.34

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
SCHEMBL1907277 0.87 RAB9A (0.46) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL1980574 0.87 RAB9A (0.46) NPC1RAB9AMEN1KMT2AALDH1A1
Bromide SCHEMBL16497619 0.86 KMT2A (0.45) NPC1RAB9AMEN1KMT2AALDH1A1
Bromide SCHEMBL16497620 0.86 KMT2A (0.45) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL1080978 0.82 MEN1 (0.54) NPC1RAB9AMEN1KMT2AALDH1A1
Iodide SCHEMBL6440579 0.82 MEN1 (0.73) NPC1RAB9AMEN1KMT2AALDH1A1
Bromide SCHEMBL8666504 0.82 MEN1 (0.69) NPC1RAB9AMEN1KMT2AALDH1A1
Iodide SCHEMBL6440584 0.82 MEN1 (0.73) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL10843581 0.81 MEN1 (0.56) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL10843575 0.81 MEN1 (0.56) NPC1RAB9AMEN1KMT2AALDH1A1

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-0616702-B1 AQUEOUS-PROCESSABLE TONABLE IMAGING ELEMENT DU PONT (US) 2001-05-30 EP claimed
EP-0704761-B1 Process for forming a colored image DU PONT (US) 2000-01-12 EP claimed
EP-0672538-B1 Reactive media-ink system for ink jet printing DU PONT (US) 1998-09-02 EP claimed