SCHEMBL2196136

SCHEMBL2196136

CCC1CCCCN1NCCCN

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 3/20 0.33
KCNH2 Q12809 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAPT P10636 2/20 0.32
MEN1 O00255 2/20 0.32
TP53 P04637 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
HSD17B10 Q99714 1/20 0.32
HTT P42858 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 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
SCHEMBL2270767 0.95 KMT2A (0.33) KMT2A
SCHEMBL2197945 0.80 LMNA (0.37) KMT2AALDH1A1KCNH2SMN1; SMN2MAPT
SCHEMBL2265839 0.74 LMNA (0.38) KMT2AMAPT
SCHEMBL8790346 0.72 KMT2A (0.42) KMT2AALDH1A1KCNH2SMN1; SMN2MAPT
Hydrochloric Acid SCHEMBL8792432 0.71 KMT2A (0.41) KMT2AALDH1A1KCNH2SMN1; SMN2MAPT
SCHEMBL21777969 0.70 HSD17B10 (0.47) KMT2AALDH1A1SMN1; SMN2MAPTMEN1
SCHEMBL3324410 0.70 HSD17B10 (0.47) KMT2AALDH1A1SMN1; SMN2MAPTMEN1
SCHEMBL7354829 0.69 KMT2A (0.47) KMT2AALDH1A1KCNH2SMN1; SMN2MAPT
SCHEMBL1647204 0.68 PSEN1 (0.39) KMT2AALDH1A1KCNH2SMN1; SMN2MAPT
SCHEMBL3710481 0.67 KMT2A (0.38) KMT2AALDH1A1KCNH2SMN1; SMN2MAPT

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
EP-2512631-A1 METHOD FOR REMOVING ACID COMPOUNDS FROM A GASEOUS EFFLUENT USING A TRIAMINE-BASED ABSORBENT SOLUTION IFP Energies nouvelles (FR) 2012-10-24 EP disclosed
WO-2011080406-A1 METHOD FOR REMOVING ACID COMPOUNDS FROM A GASEOUS EFFLUENT USING A TRIAMINE-BASED ABSORBENT SOLUTION IFP Energies Nouvelles (FR) 2011-07-07 WO disclosed