SCHEMBL1289563

SCHEMBL1289563

CC(C)Oc1ccc2nc(-c3cc4ccccc4o3)nc(NCCCN(C)C)c2c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 3/20 0.48
POLB P06746 2/20 0.48
RXFP1 Q9HBX9 1/20 0.48
ALDH1A1 P00352 1/20 0.47
MAPK1 P28482 1/20 0.47
KMT2A Q03164 1/20 0.44
FLT3 P36888 9/20 0.44
KDM1A O60341 1/20 0.42
EHMT2 Q96KQ7 1/20 0.42
RCOR1 Q9UKL0 1/20 0.42
TRIM58 Q8NG06 2/20 0.41
CD74 P04233 1/20 0.40
MIF P14174 1/20 0.40
TERT O14746 1/20 0.40
CXCR1 P25024 1/20 0.40
CXCR2 P25025 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
SCHEMBL1289391 0.91 RAD52 (0.59) RAD52POLBRXFP1ALDH1A1MAPK1
Hydrochloric Acid SCHEMBL4507791 0.90 RAD52 (0.61) RAD52POLBRXFP1ALDH1A1MAPK1
SCHEMBL1289520 0.85 FLT3 (0.53) RAD52POLBRXFP1ALDH1A1MAPK1
Hydrochloric Acid SCHEMBL4497145 0.85 ALDH1A1 (0.54) RAD52POLBRXFP1ALDH1A1MAPK1
SCHEMBL1289430 0.85 ALDH1A1 (0.65) RAD52POLBRXFP1ALDH1A1MAPK1
SCHEMBL1289349 0.84 POLB (0.58) RAD52POLBRXFP1ALDH1A1MAPK1
SCHEMBL1289369 0.84 FLT3 (0.57) RAD52POLBRXFP1ALDH1A1MAPK1
Hydrochloric Acid SCHEMBL4508209 0.84 ALDH1A1 (0.53) RAD52POLBRXFP1ALDH1A1MAPK1
Hydrochloric Acid SCHEMBL4506872 0.84 RAD52 (0.57) RAD52POLBRXFP1ALDH1A1MAPK1
Hydrochloric Acid SCHEMBL4507915 0.84 ALDH1A1 (0.67) RAD52POLBRXFP1ALDH1A1MAPK1

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