SCHEMBL20253249

SCHEMBL20253249

c1ccc(-c2cc3ccc(-c4ccc(-c5ccc(-c6ncccn6)cc5)cc4)nc3c3ncccc23)cc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 6/20 0.46
CCR1 P32246 2/20 0.39
CCR8 P51685 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CYP11B1 P15538 1/20 0.38
GLO1 Q04760 2/20 0.37
ACACA Q13085 3/20 0.36
CKS1B P61024 1/20 0.36
SKP2 Q13309 1/20 0.36
PIK3CD O00329 1/20 0.36
DHODH Q02127 3/20 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
SCHEMBL20253240 0.99 TOP1 (0.47) TOP1CCR1CCR8L3MBTL1CYP11B1
SCHEMBL20253321 0.90 TOP1 (0.39) TOP1CCR1CCR8L3MBTL1DHODH
SCHEMBL20253247 0.90 CCR1 (0.40) TOP1CCR1CCR8L3MBTL1CYP11B1
SCHEMBL20253296 0.89 TOP1 (0.40) TOP1CCR1CCR8L3MBTL1GLO1
SCHEMBL20253243 0.89 CCR1 (0.41) TOP1CCR1CCR8L3MBTL1CYP11B1
SCHEMBL20253322 0.89 CYP11B1 (0.43) TOP1CCR1CCR8L3MBTL1CYP11B1
SCHEMBL17125607 0.88 CCR1 (0.47) TOP1CCR1CCR8L3MBTL1CYP11B1
SCHEMBL20253180 0.87 CYP11B1 (0.43) TOP1CCR1CCR8L3MBTL1CYP11B1
SCHEMBL20253241 0.86 TOP1 (0.43) TOP1CCR1CCR8L3MBTL1CYP11B1
SCHEMBL24030038 0.85 CYP11B1 (0.43) TOP1CCR1CCR8L3MBTL1CYP11B1

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-2018105776-A1 PHENANTHROLINE COMPOUND AND ORGANIC LIGHT EMITTING DEVICE INCLUDING SAME 주식회사 진웅산업 2018-06-14 WO disclosed