SCHEMBL6273206

SCHEMBL6273206

COc1ccc2c(c1)CNN=C2Cc1ccncc1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 15/20 0.52
CYP17A1 P05093 1/20 0.45
ALDH1A1 P00352 2/20 0.44
LMNA P02545 2/20 0.44
KDM4E B2RXH2 1/20 0.44
CYP11B2 P19099 4/20 0.42
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MIF P14174 1/20 0.40
CYP11B1 P15538 1/20 0.39

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
SCHEMBL6274069 0.79 PDE4A (0.59)
SCHEMBL6827784 0.71 CYP19A1 (0.65) CYP19A1CYP17A1ALDH1A1LMNACYP11B2
SCHEMBL6822439 0.69 CYP19A1 (0.52) CYP19A1CYP17A1ALDH1A1LMNACYP11B2
SCHEMBL6822362 0.68 CYP19A1 (0.50) CYP19A1CYP17A1ALDH1A1LMNACYP11B2
SCHEMBL27924299 0.67 CYP17A1 (0.67) CYP19A1CYP17A1ALDH1A1LMNAKDM4E
SCHEMBL21346192 0.67 KDM4E (0.73) CYP19A1CYP17A1ALDH1A1LMNAKDM4E
SCHEMBL10961422 0.67 KDM4E (0.69) CYP19A1ALDH1A1LMNAKDM4EMIF
Hydrochloric Acid SCHEMBL7169192 0.67 CYP19A1 (0.49) CYP19A1CYP17A1ALDH1A1LMNAKDM4E
SCHEMBL6825612 0.66 CYP19A1 (0.53) CYP19A1CYP17A1ALDH1A1LMNACYP11B2
SCHEMBL6822431 0.66 CYP11B2 (0.63) CYP19A1CYP17A1CYP11B2CYP11B1

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-2005013995-A1 4-SUBSTITUTED 7-ALKOXY-2-AMINOSULFONYL-1,2-DIHYDRO-PHTALAZIN DERIVATIVES AS PHOSPHODIESTERASE 4 INHIBITORS FOR THE TREATMENT OF ALLERGIES AND INFLAMMATIONS ZAMBON GROUP S.P.A. (IT) 2005-02-17 WO disclosed