SCHEMBL1289436

SCHEMBL1289436

CN(C)CCCNc1nc(-c2cc3ccccc3o2)nc2cc(C(N)=O)ccc12

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.48
ALDH1A1 P00352 1/20 0.48
CSNK2A1 P68400 3/20 0.47
RAD52 P43351 3/20 0.46
KMT2A Q03164 1/20 0.45
POLB P06746 2/20 0.45
CTNNB1 P35222 1/20 0.44
TCF7L2 Q9NQB0 1/20 0.44
MKNK1 Q9BUB5 2/20 0.43
RXFP1 Q9HBX9 1/20 0.43
TERT O14746 4/20 0.41
ACP1 P24666 1/20 0.41
HSD17B10 Q99714 1/20 0.40
CSNK2A2 P19784 1/20 0.40
CSNK2B P67870 1/20 0.40
CXCR1 P25024 1/20 0.40
CXCR2 P25025 1/20 0.40
TLR9 Q9NR96 1/20 0.39
FLT3 P36888 1/20 0.39

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 SCHEMBL4498523 0.99 MAPK1 (0.49) MAPK1ALDH1A1CSNK2A1RAD52KMT2A
SCHEMBL1289428 0.93 MAPK1 (0.48) MAPK1ALDH1A1CSNK2A1RAD52KMT2A
Hydrochloric Acid SCHEMBL4493025 0.92 MAPK1 (0.49) MAPK1ALDH1A1CSNK2A1RAD52KMT2A
Hydrochloric Acid SCHEMBL4510745 0.86 ALDH1A1 (0.53) MAPK1ALDH1A1RAD52KMT2APOLB
SCHEMBL1289430 0.85 ALDH1A1 (0.65) MAPK1ALDH1A1RAD52KMT2APOLB
Hydrochloric Acid SCHEMBL4499587 0.85 RAD52 (0.57) MAPK1ALDH1A1RAD52KMT2APOLB
Hydrochloric Acid SCHEMBL4507915 0.85 ALDH1A1 (0.67) MAPK1ALDH1A1RAD52KMT2APOLB
Hydrochloric Acid SCHEMBL4496541 0.84 POLB (0.57) MAPK1ALDH1A1RAD52KMT2APOLB
Hydrochloric Acid SCHEMBL4503497 0.84 ALDH1A1 (0.53) MAPK1ALDH1A1RAD52KMT2APOLB
Hydrochloric Acid SCHEMBL4498567 0.84 ALDH1A1 (0.53) MAPK1ALDH1A1RAD52KMT2APOLB

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