SCHEMBL6515162

SCHEMBL6515162

C=C(C)C(=O)N(c1ccccn1)c1ccccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
ALDH1A1 P00352 3/20 0.44
TP53 P04637 1/20 0.43
KMT2A Q03164 3/20 0.42
POLB P06746 2/20 0.42
MAPT P10636 2/20 0.42
MEN1 O00255 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
KDM4E B2RXH2 1/20 0.42
RECQL P46063 1/20 0.42
BLM P54132 1/20 0.42
MCL1 Q07820 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TSHR P16473 1/20 0.40
CYP2D6 P10635 1/20 0.40

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
SCHEMBL229105 0.81 HTT (0.53) HTTNPSR1ALDH1A1TP53KMT2A
SCHEMBL28891452 0.78 HTT (0.50) HTTNPSR1ALDH1A1TP53KMT2A
SCHEMBL3342250 0.77 POLB (0.44) KMT2APOLBMAPTMEN1NPC1
SCHEMBL19512684 0.75 NPSR1 (0.47) HTTNPSR1ALDH1A1TP53KMT2A
SCHEMBL935444 0.75 HTT (0.54) HTTNPSR1ALDH1A1TP53KMT2A
SCHEMBL10843050 0.74 ALDH1A1 (0.47) HTTNPSR1ALDH1A1TP53KMT2A
SCHEMBL16372563 0.74 ALDH1A1 (0.43) HTTNPSR1ALDH1A1KMT2APOLB
SCHEMBL6272956 0.73 HTT (0.53) HTTNPSR1ALDH1A1TP53KMT2A
SCHEMBL1256530 0.73 KMT2A (0.53) HTTNPSR1ALDH1A1TP53KMT2A
SCHEMBL3726837 0.73 HTT (0.53) HTTNPSR1ALDH1A1TP53KMT2A

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-6900126-B2 Method of forming metallized pattern INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2005-05-31 US disclosed
US-20040097072-A1 Method of forming metallized pattern INTERNATIONAL BUSINESS MACHINES CORPORATION 2004-05-20 US disclosed