SCHEMBL1289428

SCHEMBL1289428

CN(C)CCCNc1nc(-c2cc3ccccc3o2)nc2ccc(C(N)=O)cc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.48
ALDH1A1 P00352 1/20 0.48
RAD52 P43351 3/20 0.46
KMT2A Q03164 1/20 0.45
POLB P06746 2/20 0.45
MKNK1 Q9BUB5 2/20 0.43
RXFP1 Q9HBX9 1/20 0.43
CSNK2A1 P68400 1/20 0.43
TRIM58 Q8NG06 2/20 0.42
TERT O14746 3/20 0.41
ACP1 P24666 1/20 0.41
FLT3 P36888 1/20 0.41
HSD17B10 Q99714 1/20 0.40
TOP2A P11388 1/20 0.40
ACKR3 P25106 1/20 0.40
OPRM1 P35372 1/20 0.40
OPRK1 P41145 1/20 0.40
TMEM97 Q5BJF2 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
CXCR1 P25024 1/20 0.40

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 SCHEMBL4493025 0.99 MAPK1 (0.49) MAPK1ALDH1A1RAD52KMT2APOLB
SCHEMBL1289436 0.93 MAPK1 (0.48) MAPK1ALDH1A1RAD52KMT2APOLB
Hydrochloric Acid SCHEMBL4498523 0.92 MAPK1 (0.49) MAPK1ALDH1A1RAD52KMT2APOLB
SCHEMBL1289520 0.86 FLT3 (0.53) MAPK1ALDH1A1RAD52KMT2APOLB
SCHEMBL1289430 0.85 ALDH1A1 (0.65) MAPK1ALDH1A1RAD52KMT2APOLB
Hydrochloric Acid SCHEMBL4506872 0.85 RAD52 (0.57) MAPK1ALDH1A1RAD52KMT2APOLB
SCHEMBL1289369 0.85 FLT3 (0.57) MAPK1ALDH1A1RAD52KMT2APOLB
Hydrochloric Acid SCHEMBL4508209 0.85 ALDH1A1 (0.53) MAPK1ALDH1A1RAD52KMT2APOLB
SCHEMBL1289349 0.85 POLB (0.58) MAPK1ALDH1A1RAD52KMT2APOLB
Hydrochloric Acid SCHEMBL4507915 0.85 ALDH1A1 (0.67) 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