SCHEMBL1289348

SCHEMBL1289348

CN(C)CCCNc1nc(-c2cc3ccccc3o2)nc2cccc(Cl)c12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR1 P25024 1/20 0.48
CXCR2 P25025 1/20 0.48
POLB P06746 3/20 0.48
ALDH1A1 P00352 1/20 0.46
MAPK1 P28482 1/20 0.46
RAD52 P43351 4/20 0.46
KMT2A Q03164 3/20 0.46
RXFP1 Q9HBX9 1/20 0.41
TOP2A P11388 2/20 0.40
MKNK1 Q9BUB5 2/20 0.40
FLT3 P36888 2/20 0.39
SLC2A1 P11166 2/20 0.39
NPC1 O15118 1/20 0.39
APOBEC3A P31941 1/20 0.39
RAB9A P51151 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
PGK1 P00558 1/20 0.38
TLR9 Q9NR96 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TERT O14746 2/20 0.37

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
Hydrochloric Acid SCHEMBL4499450 0.99 CXCR1 (0.48) CXCR1CXCR2POLBALDH1A1MAPK1
Hydrochloric Acid SCHEMBL4505109 0.88 RAD52 (0.50) CXCR1CXCR2POLBALDH1A1MAPK1
Hydrochloric Acid SCHEMBL4509152 0.86 RAD52 (0.48) CXCR1CXCR2POLBALDH1A1MAPK1
SCHEMBL1289484 0.85 CHRM2 (0.56) CXCR1CXCR2POLBALDH1A1MAPK1
SCHEMBL1289430 0.85 ALDH1A1 (0.65) POLBALDH1A1MAPK1RAD52KMT2A
Hydrochloric Acid SCHEMBL4497754 0.84 CXCR1 (0.53) CXCR1CXCR2POLBALDH1A1MAPK1
Hydrochloric Acid SCHEMBL4507915 0.84 ALDH1A1 (0.67) POLBALDH1A1MAPK1RAD52KMT2A
Hydrochloric Acid SCHEMBL4505202 0.83 ALDH1A1 (0.47) CXCR1CXCR2POLBALDH1A1MAPK1
SCHEMBL1289354 0.83 MKNK1 (0.50) POLBALDH1A1MAPK1RAD52KMT2A
SCHEMBL1289349 0.82 POLB (0.58) CXCR1CXCR2POLBALDH1A1MAPK1

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-2012046207-A1 ANTI-PARASITIC SUBSTITUTED RING FUSED AZINE COMPOUNDS PARACO TECHNOLOGY LIMITED (NZ) 2012-04-12 WO disclosed