SCHEMBL8523840

SCHEMBL8523840

O=c1c(Cn2cncc2Oc2ccc(Br)cc2)cccn1-c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.36
CYP11B1 P15538 2/20 0.36
CYP11B2 P19099 2/20 0.36
ALDH1A1 P00352 5/20 0.34
TSHR P16473 1/20 0.34
LMNA P02545 4/20 0.34
POLB P06746 3/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
NPBWR1 P48145 2/20 0.33
MAPK1 P28482 1/20 0.32
IDO1 P14902 2/20 0.31
CYP19A1 P11511 1/20 0.31
CCNE1 P24864 1/20 0.31
CDK2 P24941 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
PKM P14618 1/20 0.31
SLC6A2 P23975 1/20 0.30

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
SCHEMBL8525212 0.87 FNTA (0.39) CYP11B1CYP11B2CYP19A1
SCHEMBL8523838 0.81 CA12 (0.35) CYP11B1CYP11B2NPBWR1IDO1SLC6A2
SCHEMBL8151367 0.80 CYP11B1 (0.44) MAPTCYP11B1CYP11B2TSHRKMT2A
SCHEMBL8523927 0.77 FNTA (0.38) CYP11B1CYP11B2CYP19A1
SCHEMBL5891369 0.72 CYP11B1 (0.61) MAPTCYP11B1CYP11B2ALDH1A1SMN1; SMN2
SCHEMBL8523843 0.72 CYP19A1 (0.49) CYP11B1CYP11B2ALDH1A1CYP19A1
SCHEMBL8142947 0.67 CYP11B1 (0.47) CYP11B1CYP11B2CYP19A1
SCHEMBL8148724 0.66 CYP11B1 (0.39) MAPTCYP11B1CYP11B2LMNAIDO1
SCHEMBL8173796 0.65 CYP11B1 (0.61) CYP11B1CYP11B2IDO1CYP19A1
SCHEMBL8098848 0.64 IDO1 (0.33) CYP11B1CYP11B2IDO1

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-5939439-A Inhibitors of farnesyl-protein transferase MERCK & CO., INC. (US) 1999-08-17 US disclosed