SCHEMBL8494188

SCHEMBL8494188

Cn1cc(/C=C/C(=O)/C=C/c2cn(C)c3ccccc23)c2ccccc21

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.73
MAPT P10636 7/20 0.73
MEN1 O00255 6/20 0.73
NPC1 O15118 2/20 0.73
RAB9A P51151 2/20 0.73
CASP3 P42574 1/20 0.73
SENP8 Q96LD8 1/20 0.73
SENP7 Q9BQF6 1/20 0.73
SENP6 Q9GZR1 1/20 0.73
ALDH1A1 P00352 7/20 0.62
IMPDH2 P12268 1/20 0.62
NR4A2 P43354 1/20 0.51
GAA P10253 4/20 0.49
HPGD P15428 1/20 0.49
CRHBP P24387 1/20 0.49
CRHR2 Q13324 1/20 0.49
POLB P06746 2/20 0.47
ATM Q13315 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
HTT P42858 2/20 0.47

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
SCHEMBL8494191 1.00 KMT2A (0.73) KMT2AMAPTMEN1NPC1RAB9A
SCHEMBL23046856 0.90 KMT2A (0.68) KMT2AMAPTMEN1NPC1RAB9A
SCHEMBL2940762 0.89 MEN1 (0.76) KMT2AMAPTMEN1NPC1RAB9A
SCHEMBL14756766 0.89 MAPT (0.71) KMT2AMAPTMEN1NPC1RAB9A
SCHEMBL2940766 0.89 MEN1 (0.76) KMT2AMAPTMEN1NPC1RAB9A
SCHEMBL23046854 0.87 KMT2A (0.69) KMT2AMAPTMEN1NPC1RAB9A
SCHEMBL17529416 0.87 KMT2A (0.69) KMT2AMAPTMEN1NPC1RAB9A
SCHEMBL22713034 0.86 KMT2A (0.68) KMT2AMAPTMEN1NPC1RAB9A
SCHEMBL15984842 0.84 KMT2A (0.66) KMT2AMAPTMEN1NPC1RAB9A
SCHEMBL23600586 0.84 MEN1 (0.66) KMT2AMAPTMEN1NPC1RAB9A

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-0771196-B1 EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS LILLY CO ELI (US) 1999-12-08 EP disclosed
US-5717109-A CARBOXYCYCLOPROPYL GLYCINE DERIVATIVES; USEFUL FOR TREATMENT OF ACUTE OR CHRONIC NEURODEGENERATIVE CONDITIONS, AND AS ANTIPSYCHOTIC, ANTICONVULSANT, ANALGESIC, ANXIOLYTIC, ANTIDEPRESSANT AND ANTI-EMETIC AGENTS ELI LILLY AND COMPANY (US) 1998-02-10 US disclosed