SCHEMBL18516701

SCHEMBL18516701

CCn1cc(C)nc1CN(C)C

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.35
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL6855316 0.81 CYP19A1 (0.47) CYP19A1ALDH1A1
SCHEMBL10272589 0.78 NOTUM (0.34) ALDH1A1
SCHEMBL18754827 0.78 CYP19A1 (0.36) CYP19A1ALDH1A1
SCHEMBL10044950 0.78 CHRNB2 (0.39) ALDH1A1
SCHEMBL4900860 0.72 CYP19A1 (0.33) CYP19A1ALDH1A1
SCHEMBL4334641 0.72
SCHEMBL4900813 0.71 CYP19A1 (0.32) CYP19A1ALDH1A1
SCHEMBL4899193 0.69 TSHR (0.33) CYP19A1ALDH1A1
SCHEMBL23011667 0.68 ALOX15 (0.43) CYP19A1ALDH1A1
SCHEMBL4888368 0.68 CYP19A1 (0.31) CYP19A1

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
EP-1957498-B1 INHIBITORS OF VEGF RECEPTOR AND HGF RECEPTOR SIGNALING METHYLGENE INC (CA) 2017-02-15 EP disclosed