SCHEMBL8580449

SCHEMBL8580449

CCN1C(=CC=C2C(=O)N(c3ccccc3)N=C2C)Sc2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 16/20 0.56
▸ MAPK1 P28482 13/20 0.56
▸ MEN1 O00255 13/20 0.56
▸ SMN1; SMN2 Q16637 5/20 0.56
▸ MAPT P10636 17/20 0.53
▸ ALDH1A1 P00352 12/20 0.53
▸ THRB P10828 2/20 0.53
▸ NPC1 O15118 1/20 0.53
▸ RAB9A P51151 1/20 0.53
▸ HTT P42858 7/20 0.51
▸ L3MBTL1 Q9Y468 7/20 0.51
▸ LMNA P02545 6/20 0.51
▸ TDP1 Q9NUW8 6/20 0.51
▸ POLB P06746 2/20 0.51
▸ GAA P10253 3/20 0.51
▸ USP2 O75604 3/20 0.49
▸ CRHBP P24387 2/20 0.49
▸ CRHR2 Q13324 2/20 0.49
▸ IDE P14735 1/20 0.49
▸ KDM4E B2RXH2 5/20 0.48

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
SCHEMBL10036143 0.88 KAT8 (0.49) KMT2AMAPK1MEN1SMN1; SMN2MAPT
SCHEMBL13760784 0.86 MEN1 (0.50) KMT2AMAPK1MEN1SMN1; SMN2MAPT
SCHEMBL9622414 0.78 MAPT (0.53) KMT2AMAPK1MEN1SMN1; SMN2MAPT
SCHEMBL13709032 0.76 MEN1 (0.69) KMT2AMAPK1MEN1SMN1; SMN2MAPT
SCHEMBL14589363 0.75 MEN1 (0.73) KMT2AMAPK1MEN1SMN1; SMN2MAPT
SCHEMBL11595316 0.75 MAPT (0.42) KMT2AMAPK1MEN1SMN1; SMN2MAPT
SCHEMBL13026077 0.73 MAPT (0.50) KMT2AMAPK1MEN1SMN1; SMN2MAPT
SCHEMBL12388178 0.73 MEN1 (0.84) KMT2AMAPK1MEN1SMN1; SMN2MAPT
SCHEMBL3100627 0.73 MAPT (0.50) KMT2AMAPK1MEN1SMN1; SMN2MAPT
SCHEMBL10036038 0.73 MAPT (0.50) KMT2AMAPK1MEN1SMN1; SMN2MAPT

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-0879257-A1 POLYMERIZABLE SUBSTANCES BASED ON EPOXIDES ESPE Dental AG (DE) 1998-11-25 — — EP claimed
WO-1998022521-A1 POLYMERIZABLE SUBSTANCES BASED ON EPOXIDES THERA PATENT GMBH & CO. KG GESELLSCHAFT FÜR INDUSTRIELLE SCHUTZRECHTE (DE) 1998-05-28 — — WO claimed
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