SCHEMBL6640481

SCHEMBL6640481

Brc1ccc2c(c1)CNC(Cc1cccnc1)CN2

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
PNMT P11086 8/20 0.41
ADRA2A P08913 2/20 0.39
ADRA2B P18089 2/20 0.39
ADRA2C P18825 2/20 0.39
IDO1 P14902 1/20 0.36
GSK3B P49841 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HTT P42858 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
CYP19A1 P11511 2/20 0.34
CYP11B1 P15538 2/20 0.34
CYP11B2 P19099 2/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNA7 P36544 1/20 0.34
CHRNA4 P43681 1/20 0.34

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
SCHEMBL6640477 1.00 MEN1 (0.51) MEN1KMT2APNMTADRA2AADRA2B
SCHEMBL6618053 0.86 MEN1 (0.68) MEN1KMT2APNMTADRA2AADRA2B
SCHEMBL6616133 0.86 MEN1 (0.68) MEN1KMT2APNMTADRA2AADRA2B
SCHEMBL6617718 0.84 MEN1 (0.55) MEN1KMT2AIDO1GSK3BCYP11B1
SCHEMBL6633380 0.83 MEN1 (0.56) MEN1KMT2APNMTADRA2AADRA2B
SCHEMBL6615168 0.83 MEN1 (0.56) MEN1KMT2APNMTADRA2AADRA2B
SCHEMBL6635942 0.83 MEN1 (0.48) MEN1KMT2APNMTCYP19A1CYP11B1
SCHEMBL6635946 0.83 MEN1 (0.48) MEN1KMT2APNMTCYP19A1CYP11B1
SCHEMBL6614938 0.81 MEN1 (0.51) MEN1KMT2APNMTADRA2AADRA2B
SCHEMBL6614678 0.79 MEN1 (0.58) MEN1KMT2ACYP19A1CYP11B1CYP11B2

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-1481975-A1 Inhibitors of farnesyl protein transferase BRISTOL-MYERS SQUIBB COMPANY (US) 2004-12-01 EP disclosed
US-6011029-A BENZODIAZEPINE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2000-01-04 US disclosed