SCHEMBL2553688

SCHEMBL2553688

COCCn1cnc2cc(C(=O)N(C)C)ccc21

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
PTGER4 P35408 1/20 0.48
SMN1; SMN2 Q16637 4/20 0.46
HTT P42858 1/20 0.46
HPGD P15428 5/20 0.46
HCAR3 P49019 1/20 0.45
TP53 P04637 1/20 0.44
HDAC1 Q13547 1/20 0.43
MAPT P10636 1/20 0.43
CECR2 Q9BXF3 1/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
MAPK1 P28482 1/20 0.42
CYP2C19 P33261 1/20 0.42
BRD4 O60885 1/20 0.41
TBXAS1 P24557 1/20 0.41

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
SCHEMBL3438336 0.86 HCAR3 (0.61) MEN1KMT2APTGER4SMN1; SMN2HTT
SCHEMBL6243442 0.82 ALDH1A1 (0.46) MEN1KMT2AHPGDHCAR3BRD4
SCHEMBL14800316 0.81 MEN1 (0.54) MEN1KMT2APTGER4SMN1; SMN2HTT
SCHEMBL15774565 0.81 HPGD (0.62) MEN1KMT2APTGER4SMN1; SMN2HPGD
SCHEMBL2937848 0.79 HCAR3 (0.55) MEN1KMT2APTGER4SMN1; SMN2HTT
SCHEMBL2939210 0.78 FGFR1 (0.54) MEN1KMT2ASMN1; SMN2HTTHPGD
SCHEMBL26672356 0.75 MEN1 (0.56) MEN1KMT2APTGER4SMN1; SMN2HTT
SCHEMBL29556127 0.75 MEN1 (0.56) MEN1KMT2APTGER4SMN1; SMN2HTT
SCHEMBL3437993 0.75 KMT2A (0.58) MEN1KMT2ASMN1; SMN2HTTTP53
SCHEMBL31147784 0.74 TP53 (0.52) MEN1KMT2ASMN1; SMN2HPGDTP53

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-2011123609-A1 IMIDAZOLYL-IMIDAZOLES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2011-10-06 WO disclosed