SCHEMBL4922100

SCHEMBL4922100

C(=Nc1cccc2c(N=Cc3c4ccccc4cc4ccccc34)cccc12)c1c2ccccc2cc2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 10/20 0.51
▸ MEN1 O00255 8/20 0.51
▸ GAA P10253 5/20 0.51
▸ MAPT P10636 5/20 0.51
▸ L3MBTL1 Q9Y468 3/20 0.51
▸ KDM4E B2RXH2 3/20 0.51
▸ ALDH1A1 P00352 3/20 0.51
▸ ATM Q13315 1/20 0.51
▸ AMY1A P0DUB6 1/20 0.50
▸ POLB P06746 6/20 0.47
▸ DHODH Q02127 2/20 0.47
▸ HTT P42858 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ CHAT P28329 1/20 0.46
▸ LMNA P02545 2/20 0.44
▸ ERBB2 P04626 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ FYN P06241 1/20 0.41
▸ MAOA P21397 1/20 0.41
▸ ACHE P22303 1/20 0.41

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
SCHEMBL802230 0.84 KMT2A (0.73) KMT2AMEN1GAAMAPTL3MBTL1
SCHEMBL9947506 0.80 KMT2A (0.51) KMT2AMEN1GAAMAPTL3MBTL1
SCHEMBL14620707 0.80 KMT2A (0.51) KMT2AMEN1GAAMAPTL3MBTL1
SCHEMBL4912911 0.80 KMT2A (0.57) KMT2AMEN1GAAMAPTL3MBTL1
SCHEMBL4912916 0.80 KMT2A (0.57) KMT2AMEN1GAAMAPTL3MBTL1
SCHEMBL18873292 0.75 AMY1A (0.56) KMT2AMEN1GAAMAPTL3MBTL1
SCHEMBL16476564 0.75 AMY1A (0.56) KMT2AMEN1GAAMAPTL3MBTL1
SCHEMBL10623179 0.75 AMY1A (0.56) KMT2AMEN1GAAMAPTL3MBTL1
SCHEMBL28039588 0.75 KMT2A (0.82) KMT2AMEN1GAAMAPTL3MBTL1
SCHEMBL13178098 0.74 AMY1A (0.44) KMT2AMEN1GAAMAPTL3MBTL1

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
US-20080146772-A1 MATERIALS AND METHODS FOR CO-CRYSTAL CONTROLLED SOLID-STATE SYNTHESIS OF IMIDES AND IMINES UNIVERSITY OF SOUTH FLORIDA (US) 2008-06-19 — — US disclosed
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