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Sugi Predict / Compounds / SCHEMBL6698237

SCHEMBL6698237

SCHEMBL6698237

Cc1ccc(-c2csc3ncnc(N4CCC(N)CC4)c23)cc1.Cc1csc2ncnc(N3CCC(N)CC3)c12.Cc1sc2ncnc(N3CCC(N)CC3)c2c1-c1ccccc1.NC1CCN(c2ncnc3c2C(c2ccccc2)=CCS3)CC1.NC1CCN(c2ncnc3scc(-c4ccc(Br)cc4)c23)CC1.NC1CCN(c2ncnc3sccc23)CC1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ HTT P42858 3/20 0.39
▸ LMNA P02545 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ CRHBP P24387 1/20 0.39
▸ CRHR2 Q13324 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ POLB P06746 1/20 0.38

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
SCHEMBL6684027 0.74 KMT2A (0.56) KMT2AMEN1HTTLMNAALDH1A1
SCHEMBL6838309 0.71 LMNA (0.56) KMT2AMEN1LMNAALDH1A1MAPT
SCHEMBL6838303 0.71 MEN1 (0.66) KMT2AMEN1HTTLMNAALDH1A1
SCHEMBL6836530 0.71 MEN1 (0.62) KMT2AMEN1HTTLMNAALDH1A1
SCHEMBL6936253 0.70 AKT2 (0.41) LMNA
SCHEMBL4432115 0.69 LMNA (0.72) KMT2AMEN1HTTLMNAPOLB
SCHEMBL4433890 0.65 ADRB2 (0.51) KMT2AMEN1HTTLMNAMAPT
SCHEMBL16292937 0.64 POLB (0.80) KMT2AHTTPOLB
SCHEMBL30945075 0.63 HTR2C (0.65) MEN1HTTLMNAMAPTL3MBTL1
SCHEMBL4245389 0.63 HTR2C (0.65) MEN1HTTLMNAMAPTL3MBTL1

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
WO-2004014850-A2 SUBSTITUTED AMINOPYRIMIDINES AS NEUROKININ ANTAGONISTS PREDIX PHARMACEUTICALS HOLDINGS, INC. (US) 2004-02-19 — — WO disclosed