SCHEMBL11830724

SCHEMBL11830724

S=C(NN=Cc1ccccn1)Nc1ccccn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 2/20 0.69
SLC2A1 P11166 1/20 0.63
HKDC1 Q2TB90 1/20 0.61
CTH P32929 2/20 0.59
NPC1 O15118 3/20 0.59
RAB9A P51151 3/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
L3MBTL1 Q9Y468 2/20 0.59
KDM4E B2RXH2 2/20 0.59
ALDH1A1 P00352 2/20 0.59
MAPT P10636 2/20 0.59
MITF O75030 1/20 0.59
ADORA2A P29274 1/20 0.57
LMNA P02545 2/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
HTT P42858 2/20 0.50
OPRK1 P41145 1/20 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
SCHEMBL31690655 0.88 TOP2A (0.82) TOP2ASLC2A1HKDC1CTHNPC1
SCHEMBL31690665 0.82 TOP2A (0.73) TOP2ASLC2A1HKDC1CTHNPC1
SCHEMBL13611503 0.82 TOP2A (1.00) TOP2ASLC2A1HKDC1CTHNPC1
SCHEMBL534248 0.78 TOP2A (0.68) TOP2AHKDC1CTHNPC1RAB9A
SCHEMBL293101 0.78 TOP2A (0.68) TOP2AHKDC1CTHNPC1RAB9A
SCHEMBL2562208 0.78 TOP2A (0.68) TOP2ASLC2A1HKDC1CTHNPC1
SCHEMBL2562207 0.78 TOP2A (0.68) TOP2ASLC2A1HKDC1CTHNPC1
SCHEMBL5180987 0.78 TOP2A (1.00) TOP2ASLC2A1HKDC1CTHNPC1
SCHEMBL5180992 0.78 TOP2A (1.00) TOP2ASLC2A1HKDC1CTHNPC1
SCHEMBL10085223 0.78 SLC2A1 (0.71) TOP2ASLC2A1HKDC1CTHNPC1

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
US-3992391-A PREVENTION AND TREATMENT OF HYPOXIA DAINIPPON PHARMACEUTICAL CO., LTD. (JA) 1976-11-16 US disclosed