SCHEMBL1289489

SCHEMBL1289489

CN(C)CCCNc1nc(-c2cc3ccccc3[nH]2)nc2ccccc12

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.65
▸ MAPK1 P28482 1/20 0.65
▸ RAD52 P43351 5/20 0.61
▸ POLB P06746 5/20 0.60
▸ KMT2A Q03164 2/20 0.60
▸ RXFP1 Q9HBX9 1/20 0.57
▸ TLR9 Q9NR96 1/20 0.54
▸ TOP2A P11388 2/20 0.52
▸ SMARCA2 P51531 1/20 0.52
▸ FLT3 P36888 6/20 0.52
▸ TERT O14746 1/20 0.52
▸ NPC1 O15118 1/20 0.51
▸ SLC2A1 P11166 1/20 0.51
▸ APOBEC3A P31941 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ APOBEC3G Q9HC16 1/20 0.51
▸ ACP1 P24666 2/20 0.50

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 SCHEMBL4502066 0.99 ALDH1A1 (0.67) ALDH1A1MAPK1RAD52POLBKMT2A
SCHEMBL1289534 0.88 RAD52 (0.67) ALDH1A1MAPK1RAD52POLBKMT2A
SCHEMBL1289424 0.88 RAD52 (0.59) ALDH1A1MAPK1RAD52POLBKMT2A
Hydrochloric Acid SCHEMBL4509102 0.87 RAD52 (0.69) ALDH1A1MAPK1RAD52POLBKMT2A
Hydrochloric Acid SCHEMBL4507613 0.87 RAD52 (0.69) ALDH1A1MAPK1RAD52POLBKMT2A
SCHEMBL26639491 0.81 ALDH1A1 (0.69) ALDH1A1MAPK1RAD52POLBKMT2A
SCHEMBL1289551 0.79 RAD52 (0.56) ALDH1A1MAPK1RAD52POLBKMT2A
SCHEMBL10065464 0.79 ALDH1A1 (0.76) ALDH1A1MAPK1RAD52POLBKMT2A
SCHEMBL1289430 0.78 ALDH1A1 (0.65) ALDH1A1MAPK1RAD52POLBKMT2A
SCHEMBL1289571 0.78 ALDH1A1 (0.65) ALDH1A1MAPK1RAD52POLBKMT2A

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
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