SCHEMBL11533405

SCHEMBL11533405

C=Cn1ccnc1C(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 12/20 0.45
KMT2A Q03164 1/20 0.39
CYP3A4 P08684 1/20 0.36
CYP3A5 P20815 1/20 0.36
LMNA P02545 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL11540604 0.85 KMT2A (0.42) KMT2ACYP3A4LMNATDP1
SCHEMBL11534505 0.80 KMT2A (0.48) CYP19A1KMT2ACYP3A4CYP3A5
SCHEMBL11542036 0.80 KMT2A (0.51) KMT2ALMNATDP1
SCHEMBL11534295 0.76 KMT2A (0.66) CYP19A1KMT2A
SCHEMBL11537049 0.74 KMT2A (0.45) CYP19A1KMT2ACYP3A4CYP3A5
SCHEMBL11531936 0.73 MEN1 (0.48) CYP19A1KMT2ACYP3A4LMNA
SCHEMBL11535928 0.72 KMT2A (0.49) KMT2ACYP3A4LMNATDP1
SCHEMBL11531547 0.72 KMT2A (0.77) CYP19A1KMT2ACYP3A4CYP3A5
SCHEMBL4055564 0.71 KMT2A (0.57) CYP19A1KMT2A
SCHEMBL8243325 0.71 KMT2A (0.57) CYP19A1KMT2A

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
US-4152441-A Analgesic imidazolemethanols GIST-BROCADES N.V. (NL) 1979-05-01 US disclosed