SCHEMBL10945622

SCHEMBL10945622

Cc1ccc(O)c(Cn2ccnc2)c1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 6/20 0.57
CYP11B2 P19099 6/20 0.57
CYP19A1 P11511 6/20 0.57
BRD4 O60885 2/20 0.52
POLB P06746 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
KDM4E B2RXH2 1/20 0.52
LMNA P02545 1/20 0.52
MAPT P10636 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
IDH1 O75874 2/20 0.50
TBXAS1 P24557 1/20 0.50
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
CTDSP1 Q9GZU7 1/20 0.46

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
SCHEMBL5849720 0.84 CYP11B1 (0.66) CYP11B1CYP11B2CYP19A1POLBTDP1
SCHEMBL2509182 0.82 BRD4 (0.50) CYP11B1CYP11B2CYP19A1BRD4POLB
SCHEMBL2509183 0.82 BRD4 (0.50) CYP11B1CYP11B2CYP19A1BRD4POLB
SCHEMBL8936715 0.81 CYP11B1 (0.58) CYP11B1CYP11B2CYP19A1BRD4POLB
SCHEMBL5592277 0.81 CYP11B1 (0.57) CYP11B1CYP11B2CYP19A1BRD4POLB
SCHEMBL2508166 0.80 BRD4 (0.51) CYP11B1CYP11B2CYP19A1BRD4POLB
SCHEMBL2508169 0.80 BRD4 (0.51) CYP11B1CYP11B2CYP19A1BRD4POLB
SCHEMBL2509348 0.80 JAK2 (0.52) CYP11B1CYP11B2CYP19A1BRD4POLB
SCHEMBL2509350 0.80 JAK2 (0.52) CYP11B1CYP11B2CYP19A1BRD4POLB
SCHEMBL8050377 0.77 CYP11B1 (0.65) CYP11B1CYP11B2CYP19A1BRD4POLB

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
US-4555516-A FOR TREATMENT OF CARDIOVASCULAR DISORDERS PFIZER INC. (US) 1985-11-26 US disclosed
US-4448781-A CARDIOVASCULAR DISORDERS PFIZER INC. (US) 1984-05-15 US disclosed