SCHEMBL6668006

SCHEMBL6668006

Cc1ccc(-c2csc3ncnc(N4CCC(NC5c6ccccc6CC5O)CC4)c23)cc1.OC1Cc2ccccc2C1NC1CCN(c2ncnc3scc(-c4ccc(Br)cc4)c23)CC1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
LMNA P02545 2/20 0.52
HTT P42858 2/20 0.52
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.49
MAPT P10636 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ADRB2 P07550 4/20 0.45
ADRB3 P13945 4/20 0.45
ADRB1 P08588 3/20 0.45

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
SCHEMBL6680615 0.96 MEN1 (0.56) MEN1KMT2ALMNAHTTKDM4E
SCHEMBL6666691 0.96 ADRB2 (0.48) MEN1KMT2ALMNAADRB2ADRB3
SCHEMBL6700387 0.90 ADRB2 (0.55) MEN1KMT2ALMNAHTTADRB2
SCHEMBL6678332 0.78 LMNA (0.53) MEN1KMT2ALMNAHTTKDM4E
SCHEMBL6663592 0.78 ADRB2 (0.50) KMT2AHTTADRB2ADRB3ADRB1
SCHEMBL6663218 0.77 KMT2A (0.52) MEN1KMT2ALMNAHTTALDH1A1
SCHEMBL27978782 0.74 LMNA (0.65) MEN1KMT2ALMNAHTTKDM4E
SCHEMBL16293270 0.74 LMNA (0.64) MEN1KMT2ALMNAADRB2ADRB3
SCHEMBL6836170 0.72 KMT2A (0.51) MEN1KMT2ALMNAHTTALDH1A1
SCHEMBL6836276 0.72 ADRB2 (0.60) MEN1KMT2ALMNAHTTADRB2

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