SCHEMBL7208317

SCHEMBL7208317

CCCCCCCCNCC(N)CCCCCCN

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 1/20 0.51
GNAO1 P09471 1/20 0.51
GNAI1 P63096 1/20 0.51
ANPEP P15144 1/20 0.47
ERAP2 Q6P179 1/20 0.47
SIRT6 Q8N6T7 1/20 0.47
SIRT1 Q96EB6 1/20 0.47
DNM1 Q05193 8/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 1/20 0.46
TSHR P16473 1/20 0.46
EPHX1 P07099 1/20 0.46
RRM1 P23921 1/20 0.42

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
SCHEMBL7206054 1.00 GNAI3 (0.51) GNAI3GNAO1GNAI1ANPEPERAP2
SCHEMBL12952257 0.93 GNAI3 (0.42) GNAI3GNAO1GNAI1ANPEPERAP2
SCHEMBL11801411 0.93 ANPEP (0.53) GNAI3GNAO1GNAI1ANPEPERAP2
SCHEMBL11791450 0.93 ANPEP (0.53) GNAI3GNAO1GNAI1ANPEPERAP2
SCHEMBL10998568 0.91 PLA2G1B (0.46) GNAI3GNAO1GNAI1ANPEPERAP2
SCHEMBL10974610 0.91 PLA2G1B (0.46) GNAI3GNAO1GNAI1ANPEPERAP2
SCHEMBL7081815 0.91 PLA2G1B (0.46) GNAI3GNAO1GNAI1ANPEPERAP2
SCHEMBL114607 0.91 CA12 (0.48) GNAI3GNAO1GNAI1MEN1KMT2A
SCHEMBL351230 0.91 CA12 (0.48) GNAI3GNAO1GNAI1MEN1KMT2A
SCHEMBL174695 0.91 CA12 (0.48) GNAI3GNAO1GNAI1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0912584-A2 NEW BIS-PLATINUM COMPLEXES WITH POLYAMINE LIGANDS AS ANTITUMOR AGENTS F. HOFFMANN-LA ROCHE AG (CH) 1999-05-06 EP disclosed
WO-1998003519-A2 NEW BIS-PLATINUM COMPLEXES WITH POLYAMINE LIGANDS AS ANTITUMOR AGENTS F. HOFFMANN-LA ROCHE AG (CH) 1998-01-29 WO disclosed
EP-0308893-B1 Process for producing dioctamethylene triamine MITSUBISHI GAS CHEMICAL CO (JP) 1994-01-05 EP disclosed
EP-0308894-B1 PROCESS FOR PRODUCING DIOCTAMETHYLENE TRIAMINE MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1991-12-11 EP disclosed