SCHEMBL11242996

SCHEMBL11242996

O=C(Nc1nc(NC(=O)c2cccnc2)nc(-c2cccc(Cl)c2)n1)c1cccnc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.62
KMT2A Q03164 3/20 0.62
TDP2 O95551 1/20 0.55
ADORA1 P30542 1/20 0.55
KCNMA1 Q12791 1/20 0.55
NPC1 O15118 3/20 0.54
L3MBTL1 Q9Y468 2/20 0.53
KDM4E B2RXH2 1/20 0.53
LMNA P02545 1/20 0.53
POLB P06746 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
RAB9A P51151 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
GAA P10253 1/20 0.52
MAPK1 P28482 1/20 0.51
KCNK3 O14649 1/20 0.50
ABL1 P00519 1/20 0.50
PDGFRB P09619 1/20 0.50
BCR P11274 1/20 0.50
SRC P12931 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
SCHEMBL9566631 0.92 MEN1 (0.56) MEN1KMT2ATDP2ADORA1KCNMA1
SCHEMBL9566416 0.84 LMNA (0.59) MEN1KMT2AADORA1NPC1KDM4E
SCHEMBL11591966 0.82 LMNA (0.69) MEN1KMT2ANPC1LMNATDP1
SCHEMBL14880012 0.79 MEN1 (0.89) MEN1KMT2ANPC1L3MBTL1LMNA
SCHEMBL9566457 0.78 SMN1; SMN2 (0.55) MEN1KMT2AKCNMA1NPC1LMNA
SCHEMBL9566608 0.78 NPC1 (0.58) MEN1KMT2AKCNMA1NPC1L3MBTL1
SCHEMBL21934996 0.77 KCNMA1 (0.61) MEN1KMT2AKCNMA1NPC1L3MBTL1
SCHEMBL17040259 0.77 LMNA (0.57) MEN1KMT2ANPC1KDM4ELMNA
SCHEMBL10822553 0.77 KMT2A (0.56) MEN1KMT2AKCNMA1NPC1L3MBTL1
SCHEMBL1937371 0.76 GRM5 (0.62) MEN1KMT2AKCNMA1NPC1L3MBTL1

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-4333933-A ANTIINFLAMMATORY, REACTING HALO BENZOGUANAMINE WITH NICOTINE ACID DERIVAGIVE NIPPON SHINYAKU CO., LTD. (JP) 1982-06-08 US disclosed