SCHEMBL13287496

SCHEMBL13287496

CCN(Cc1nccn1CCN)Cc1nccn1CCN

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 2/20 0.37
▸ ALDH1A1 P00352 3/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ MEN1 O00255 1/20 0.33
▸ ADORA2B P29275 1/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ CXCR4 P61073 1/20 0.31
▸ NCOA1 Q15788 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ NCOA3 Q9Y6Q9 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ TSHR P16473 1/20 0.30

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
SCHEMBL20056396 0.90 TLR8 (0.31) TLR8
SCHEMBL13287470 0.83 RAB9A (0.41) TLR8ALDH1A1KMT2APOLBMEN1
SCHEMBL2792249 0.80 TLR8 (0.46) TLR8ALDH1A1KMT2APOLBTSHR
SCHEMBL11930756 0.79 LMNA (0.39) TLR8ALDH1A1KMT2APOLBMEN1
SCHEMBL19033089 0.77 ALDH1A1 (0.37) TLR8ALDH1A1KMT2APOLBMEN1
SCHEMBL17219025 0.75 TLR8 (0.49) TLR8ALDH1A1KMT2APOLB
SCHEMBL11938341 0.74 FPR2 (0.43) ADORA2BSMN1; SMN2
SCHEMBL13382183 0.73 MEN1 (0.33) ALDH1A1KMT2AMEN1L3MBTL1RAB9A
SCHEMBL24810231 0.73 TLR8 (0.34) TLR8ALDH1A1KMT2APOLBADORA2B
SCHEMBL10363599 0.72 TLR8 (0.50) TLR8ALDH1A1KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010065902-A2 TECHNETIUM- AND RHENIUM-BIS(HETEROARYL) COMPLEXES AND METHODS OF USE THEREOF FOR INHIBITING PSMA MOLECULAR INSIGHT PHARMACEUTICALS, INC. (US) 2010-06-10 — — WO disclosed
Send feedback