SCHEMBL7576497

SCHEMBL7576497

C1=C(c2ccccc2)C(NC2C(c3ccccc3)=Cc3ccccc32)c2ccccc21

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.33
NOTUM Q6P988 1/20 0.33
CYP19A1 P11511 1/20 0.31
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
CFTR P13569 1/20 0.31
GOPC Q9HD26 1/20 0.31
ALDH1A1 P00352 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 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
SCHEMBL1387828 0.76 CFTR (0.38) CYP19A1CYP11B1CYP11B2CFTRGOPC
SCHEMBL27448383 0.75 ALDH1A1 (0.33) CYP19A1CYP11B1CYP11B2CFTRGOPC
Iodide SCHEMBL1539609 0.73 ALDH1A1 (0.32) CYP19A1CYP11B1CYP11B2CFTRGOPC
SCHEMBL4384850 0.73 DRD2 (0.38) CYP19A1CYP11B1CYP11B2CFTRGOPC
SCHEMBL27566963 0.73 ALDH1A1 (0.32) CYP19A1CYP11B1CYP11B2CFTRGOPC
Fluoride Ion SCHEMBL1539745 0.73 ALDH1A1 (0.32) CYP19A1CYP11B1CYP11B2CFTRGOPC
SCHEMBL29008132 0.73 HTR2A (0.34) CYP19A1CYP11B1CYP11B2CFTRGOPC
Bromide SCHEMBL1539700 0.73 LMNA (0.34) CYP19A1CYP11B1CYP11B2CFTRGOPC
Hydrochloric Acid SCHEMBL1539598 0.73 CYP11B1 (0.35) NOTUMCYP19A1CYP11B1CYP11B2CFTR
SCHEMBL28182559 0.73 ALDH1A1 (0.32) CYP19A1CYP11B1CYP11B2CFTRGOPC

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-2002022709-A1 HIGHLY BRANCHED WATER-SOLUBLE POLYAMINE OLIGOMERS, PROCESS FOR THEIR PREPARATION AND APPLICATIONS THEREOF EPOX LTD. (IL) 2002-03-21 WO disclosed