SCHEMBL10065462

SCHEMBL10065462

COc1ccc2cc(-c3nc(NCCCN(C)C)c4ccccc4n3)oc2c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 4/20 0.68
POLB P06746 4/20 0.68
RXFP1 Q9HBX9 1/20 0.68
ALDH1A1 P00352 2/20 0.59
MAPK1 P28482 1/20 0.59
FLT3 P36888 4/20 0.58
KMT2A Q03164 1/20 0.55
TERT O14746 3/20 0.54
CYP1A2 P05177 3/20 0.49
CYP3A4 P08684 3/20 0.49
CYP2D6 P10635 3/20 0.49
CYP2C19 P33261 3/20 0.49
TSHR P16473 2/20 0.49
MERTK Q12866 1/20 0.49
ALOX15 P16050 1/20 0.49
TLR9 Q9NR96 1/20 0.49
SMARCA2 P51531 1/20 0.47
TOP2A P11388 1/20 0.47
LMNA P02545 2/20 0.47
CYP2C9 P11712 1/20 0.47

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 0.89 RAD52 (0.59) RAD52POLBRXFP1ALDH1A1MAPK1
SCHEMBL1289430 0.89 ALDH1A1 (0.65) RAD52POLBRXFP1ALDH1A1MAPK1
Hydrochloric Acid SCHEMBL4512267 0.89 RAD52 (0.61) RAD52POLBRXFP1ALDH1A1MAPK1
Hydrochloric Acid SCHEMBL4507791 0.89 RAD52 (0.61) RAD52POLBRXFP1ALDH1A1MAPK1
Hydrochloric Acid SCHEMBL4507915 0.88 ALDH1A1 (0.67) RAD52POLBRXFP1ALDH1A1MAPK1
SCHEMBL12473363 0.86 ALDH1A1 (0.60) RAD52POLBRXFP1ALDH1A1MAPK1
Hydrochloric Acid SCHEMBL4500478 0.85 ALDH1A1 (0.62) RAD52POLBRXFP1ALDH1A1MAPK1
SCHEMBL1289449 0.82 ALDH1A1 (0.59) RAD52POLBRXFP1ALDH1A1MAPK1
SCHEMBL4510629 0.82 POLB (0.66) RAD52POLBRXFP1ALDH1A1MAPK1
Hydrochloric Acid SCHEMBL4509844 0.82 RAD52 (0.66) 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