SCHEMBL880646

SCHEMBL880646

NCCNC(=O)c1cc(Br)cc(C#Cc2cccc(-c3cc(Br)cc(C(=O)NCCN)c3)c2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.40
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
CYP1A2 P05177 1/20 0.37
TSHR P16473 1/20 0.37
NFKB1 P19838 1/20 0.37
MAOB P27338 1/20 0.37
TERT O14746 2/20 0.37
MEN1 O00255 1/20 0.36
BLM P54132 1/20 0.36
PMP22 Q01453 1/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 1/20 0.36
CFD P00746 1/20 0.36
SPHK2 Q9NRA0 1/20 0.36
TP53BP1 Q12888 1/20 0.36
CHEK1 O14757 1/20 0.35
ERN1 O75460 1/20 0.35
ACACB O00763 2/20 0.35
ABL1 P00519 1/20 0.35

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
SCHEMBL10078709 0.93 L3MBTL1 (0.37) L3MBTL1NPC1RAB9ACYP1A2TSHR
SCHEMBL10198713 0.91 L3MBTL1 (0.46) L3MBTL1NPC1RAB9ACYP1A2TSHR
SCHEMBL14143640 0.87 L3MBTL1 (0.49) L3MBTL1NPC1RAB9ACYP1A2TSHR
SCHEMBL19445566 0.80 L3MBTL1 (0.37) L3MBTL1NPC1RAB9ACYP1A2TSHR
SCHEMBL5862900 0.72 L3MBTL1 (0.73) L3MBTL1NPC1RAB9ACYP1A2TERT
SCHEMBL18759318 0.70 CFD (0.61) TERTCFDSPHK2HDAC1KDM4E
SCHEMBL10078124 0.70 TAAR1 (0.45) MAOB
SCHEMBL22702202 0.69 MAOB (0.47) NPC1RAB9ACYP1A2TSHRNFKB1
SCHEMBL880647 0.68 PTGES (0.32) NPC1RAB9A
SCHEMBL404359 0.68 CYP1A2 (0.58) NPC1RAB9ACYP1A2TSHRNFKB1

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-2468711-A2 Facially amphiphilic polyaryl and polarylalkynyl polymers and oligomers and uses thereof The Trustees Of The University Of Pennsylvania (US) 2012-06-27 EP disclosed
EP-2433627-A1 Facially amphiphilic polymers and oligomers, compositions thereof, and use thereof in methods of treating cancer The Trustees Of The University Of Pennsylvania (US) 2012-03-28 EP disclosed
EP-2301349-A2 Facially amphiphilic polymers and oligomers, compositions thereof, and use thereof in methods of treating cancer The Trustees of The University of Pennsylvania (US) 2011-03-30 EP disclosed