SCHEMBL9657263

SCHEMBL9657263

NC(Cn1cncn1)c1ccc(Cl)cc1

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 6/20 0.50
HTT P42858 3/20 0.48
KDM4E B2RXH2 1/20 0.48
POLB P06746 1/20 0.48
KMT2A Q03164 4/20 0.44
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.43
ALDH1A1 P00352 2/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYP3A4 P08684 1/20 0.41

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
SCHEMBL10926146 0.83 CYP19A1 (0.51) CYP19A1HTTPOLBKMT2AMEN1
SCHEMBL10970720 0.83 CYP19A1 (0.53) CYP19A1HTTKDM4EPOLBKMT2A
SCHEMBL11375336 0.82 CYP19A1 (0.51) CYP19A1HTTKDM4EPOLBKMT2A
SCHEMBL12532514 0.81 CYP19A1 (0.50) CYP19A1HTTKDM4EPOLBKMT2A
SCHEMBL9634892 0.81 CYP19A1 (0.50) CYP19A1HTTKDM4EPOLBKMT2A
SCHEMBL9790348 0.79 LMNA (0.44) CYP19A1HTTKDM4EPOLBLMNA
SCHEMBL11610591 0.78 CYP19A1 (0.47) CYP19A1HTTKDM4EPOLBKMT2A
SCHEMBL9711370 0.78 CYP19A1 (0.47) CYP19A1HTTKDM4EPOLBKMT2A
SCHEMBL14370225 0.77 CYP19A1 (0.46) CYP19A1HTTKDM4EPOLBKMT2A
SCHEMBL11271596 0.77 CYP19A1 (0.46) CYP19A1HTTKDM4EPOLBKMT2A

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-5081131-A Omega-((hetero)alkyl)benz(cd)-indol-2-amines AMERICAN CYANAMID COMPANY (US) 1992-01-14 US disclosed