SCHEMBL9422296

SCHEMBL9422296

N#Cc1ccc(Oc2ccccc2-c2ccccc2Oc2ccc(C#N)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.57
CYP11B1 P15538 4/20 0.52
POLB P06746 2/20 0.49
GAA P10253 1/20 0.49
CYP19A1 P11511 1/20 0.47
MAOB P27338 1/20 0.47
PDE4A P27815 1/20 0.47
PDE4B Q07343 1/20 0.47
PDE4C Q08493 1/20 0.47
PDE4D Q08499 1/20 0.47
NCOA1 Q15788 1/20 0.46
NCOA3 Q9Y6Q9 1/20 0.46
PARP15 Q460N3 1/20 0.44
PARP10 Q53GL7 1/20 0.44
PARP2 Q9UGN5 1/20 0.44
TSHR P16473 1/20 0.44
CYP11B2 P19099 2/20 0.44
AR P10275 2/20 0.44
KDM4E B2RXH2 2/20 0.43
LMNA P02545 2/20 0.43

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
SCHEMBL7700911 0.90 SLC6A4 (0.62) SLC6A4CYP11B1POLBGAACYP19A1
SCHEMBL27716203 0.89 NCOA1 (0.62) SLC6A4CYP11B1POLBGAACYP19A1
SCHEMBL3421695 0.88 SLC6A4 (0.60) SLC6A4CYP11B1POLBGAACYP19A1
SCHEMBL5321203 0.82 FFAR1 (0.46) SLC6A4CYP11B1CYP19A1MAOBCYP11B2
SCHEMBL31070289 0.81 AR (0.59) SLC6A4CYP11B1POLBGAACYP19A1
SCHEMBL11602546 0.81 AR (0.59) SLC6A4CYP11B1POLBGAACYP19A1
SCHEMBL5897452 0.81 SLC6A4 (0.54) SLC6A4CYP11B1POLBGAACYP19A1
SCHEMBL1340711 0.81 IKBKB (0.56) SLC6A4CYP11B1POLBGAACYP19A1
SCHEMBL920146 0.81 L3MBTL1 (0.70) SLC6A4CYP11B1POLBGAACYP19A1
SCHEMBL506733 0.81 SLC6A4 (0.54) SLC6A4CYP11B1POLBGAACYP19A1

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
JP-6256259-A None JP disclosed
JP-H06256259-A AROMATIC DICARBOXYLIC ACID AND POLYAMIDE IMAI YOSHIO 1994-09-13 JP disclosed