SCHEMBL5133622

SCHEMBL5133622

NCCNC(=O)c1ccc2[nH]c(-c3ccc(Cl)c4c[nH]cc34)cc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TERT O14746 2/20 0.44
MAOB P27338 2/20 0.42
CYP1A2 P05177 1/20 0.42
TSHR P16473 1/20 0.42
NFKB1 P19838 1/20 0.42
MEN1 O00255 1/20 0.41
BLM P54132 1/20 0.41
PMP22 Q01453 1/20 0.41
KMT2A Q03164 1/20 0.41
TDO2 P48775 1/20 0.40
PARP1 P09874 1/20 0.40
F2 P00734 1/20 0.39
F10 P00742 1/20 0.39
PLG P00747 1/20 0.39
PLAU P00749 1/20 0.39
PRSS1 P07477 1/20 0.39
HPGD P15428 2/20 0.38
POLB P06746 1/20 0.38
HTT P42858 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38

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
SCHEMBL5133476 0.91 HPGD (0.50) MAOBMEN1KMT2AHPGDPOLB
SCHEMBL5132492 0.79 KDR (0.55) TSHR
Hydrochloric Acid SCHEMBL27720720 0.78 TERT (0.39) TERTMAOBCYP1A2TSHRNFKB1
Hydrochloric Acid SCHEMBL3040466 0.78 KDR (0.42) TERTMAOBCYP1A2TSHRNFKB1
SCHEMBL14559496 0.74 KDR (0.62) TERTPARP1
SCHEMBL5551798 0.74 KDR (0.62) TERTPARP1
Hydrochloric Acid SCHEMBL3045167 0.73 PARP1 (0.41) TERTPARP1
Hydrochloric Acid SCHEMBL27720763 0.73 PARP1 (0.40) PARP1ITGB3ITGA2B
SCHEMBL5043948 0.72 FFAR1 (0.40) CYP1A2FFAR1
SCHEMBL5134533 0.72 FFAR1 (0.43) FFAR1

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
EP-1880993-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND KYOWA HAKKO KOGYO CO., LTD. (JP) 2008-01-23 EP disclosed