SCHEMBL8773802

SCHEMBL8773802

Nc1cc2[nH]n[c]c2c2ccccc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.37
GAA P10253 3/20 0.37
CYP3A4 P08684 2/20 0.37
PDPK1 O15530 1/20 0.37
HPRT1 P00492 1/20 0.35
POLB P06746 2/20 0.35
PARP1 P09874 1/20 0.35
HTT P42858 1/20 0.35
RAD52 P43351 1/20 0.35
PKM P14618 1/20 0.34
HSD17B10 Q99714 3/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPT P10636 1/20 0.34
ALOX15 P16050 1/20 0.34
NCF1 P14598 1/20 0.33
AURKA O14965 1/20 0.33
ACHE P22303 1/20 0.33
TSHR P16473 2/20 0.32
HPGD P15428 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL10466997 0.72 SIRT2 (0.49) KDM4EGAACYP3A4HPRT1HTT
SCHEMBL3002 0.70 ALDH1A1 (0.41) KDM4EGAACYP3A4HPRT1POLB
SCHEMBL395374 0.69 GAA (0.33) KDM4EGAACYP3A4PDPK1POLB
SCHEMBL18398743 0.67 IDO1 (0.55) KDM4EHPRT1POLBPARP1HTT
SCHEMBL3079936 0.62 BCHE (0.40) KDM4EGAACYP3A4PARP1HSD17B10
SCHEMBL555502 0.62 CYP1A2 (0.44) KDM4EGAACYP3A4PDPK1POLB
SCHEMBL6244226 0.61 HPRT1 (0.73) KDM4ECYP3A4HPRT1POLBPARP1
SCHEMBL2557 0.61
SCHEMBL7579630 0.59 MEN1 (0.44) KDM4EGAAPDPK1PARP1HTT
SCHEMBL18398744 0.58 KDM4E (0.47) KDM4EGAACYP3A4PDPK1HPRT1

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-0804428-A1 BIS-SULFONAMIDE HYDROXYETHYLAMINO RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1997-11-05 EP claimed