SCHEMBL16720437

SCHEMBL16720437

Oc1ccc[c]c1-c1ccc2[nH]cnc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ QPCT Q16769 4/20 0.47
▸ QPCTL Q9NXS2 4/20 0.47
▸ IDO1 P14902 1/20 0.35
▸ KDM4E B2RXH2 4/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ MAPT P10636 3/20 0.33
▸ APEX1 P27695 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ BLM P54132 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ TERT O14746 1/20 0.32
▸ HPGD P15428 2/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ PRKCI P41743 1/20 0.32
▸ LMNA P02545 2/20 0.31
▸ RAD52 P43351 1/20 0.31

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
SCHEMBL28294109 0.76 QPCT (0.77) QPCTQPCTLIDO1KDM4EALDH1A1
SCHEMBL6008269 0.74 MAPT (0.50) QPCTQPCTLKDM4EALDH1A1MAPT
SCHEMBL31143361 0.74 MAPT (0.50) QPCTQPCTLKDM4EALDH1A1MAPT
SCHEMBL16719750 0.74 NPC1 (0.50) NPC1
SCHEMBL28178021 0.72 PARP1 (0.46) QPCTQPCTLKDM4EALDH1A1MAPT
SCHEMBL16719955 0.71 GSK3B (0.53) QPCTQPCTLKDM4EALDH1A1MAPT
SCHEMBL28360929 0.71 QPCT (0.47) QPCTQPCTLKDM4EALDH1A1MAPT
SCHEMBL16720439 0.71 QPCT (0.50) QPCTQPCTLKDM4EALDH1A1MAPT
SCHEMBL2785993 0.71 QPCT (0.37) QPCTQPCTLKDM4EALDH1A1MAPT
SCHEMBL16720494 0.71 TYR (0.46) KDM4EALDH1A1HPGDNPC1MEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3068758-A1 EBNA1 INHIBITORS AND THEIR METHOD OF USE The Wistar Institute Of Anatomy And Biology (US) 2016-09-21 — — EP disclosed
WO-2015073864-A1 EBNA1 INHIBITORS AND THEIR METHOD OF USE THE WISAR INSTITUTE OF ANATOMY AND BIOLOGY (US) 2015-05-21 — — WO disclosed
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