SCHEMBL19986177

SCHEMBL19986177

Cc1cc(-c2cccc(-c3ccccc3)c2)c2ncccc2n1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 9/20 0.59
PRMT5 O14744 1/20 0.42
CYP2C9 P11712 4/20 0.42
CYP1A2 P05177 1/20 0.40
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
APEX1 P27695 1/20 0.39
KMT2A Q03164 1/20 0.39
PDE4A P27815 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
SCHEMBL19986179 0.91 TOP1 (0.67) TOP1PRMT5CYP1A2
SCHEMBL19986174 0.91 TOP1 (0.71) TOP1PRMT5CYP1A2MAPTPDE4A
SCHEMBL19986175 0.80 CYP1A2 (0.55) CYP1A2MEN1MAPTAPEX1KMT2A
SCHEMBL19986170 0.77 DHODH (0.46) KMT2A
SCHEMBL18020161 0.74 TOP1 (1.00) TOP1
SCHEMBL19844332 0.73 TOP1 (0.82) TOP1MEN1MAPTKMT2A
SCHEMBL12315322 0.73 CRHR1 (0.43) CYP1A2MAPT
SCHEMBL19986172 0.72 DHODH (0.46) CYP1A2MEN1MAPTKMT2A
SCHEMBL8284604 0.72 PRMT5 (0.68) TOP1PRMT5CYP1A2MAPT
SCHEMBL15973400 0.72 CRHR1 (0.43) CYP1A2MAPT

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-20180083202-A1 COMPOUND FOR ORGANIC OPTOELECTRIC DEVICE, COMPOSITION FOR ORGANIC OPTOELECTRIC DEVICE AND ORGANIC OPTOELECTRIC DEVICE AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2018-03-22 US disclosed