SCHEMBL12554358

SCHEMBL12554358

c1ccc(-n2c3cc(-c4cccnc4)ccc3c3c4ccccc4c(-c4cccnc4)cc32)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 5/20 0.45
CYP11B2 P19099 4/20 0.40
CYP19A1 P11511 3/20 0.40
CYP17A1 P05093 2/20 0.40
CHEK1 O14757 2/20 0.40
MAPT P10636 1/20 0.40
CYP3A4 P08684 2/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
METAP2 P50579 1/20 0.39
DHODH Q02127 1/20 0.39
CYP1A2 P05177 1/20 0.38
POLB P06746 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMO O15229 1/20 0.38
GAA P10253 1/20 0.38
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38

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
SCHEMBL9887459 0.95 CYP11B1 (0.40) CYP11B1CYP11B2CYP19A1CYP17A1CHEK1
SCHEMBL9887001 0.94 CYP11B1 (0.44) CYP11B1CYP11B2CYP19A1CYP17A1MAPT
SCHEMBL12554398 0.92 CYP11B1 (0.39) CYP11B1CHEK1MAPTCYP3A4METAP2
SCHEMBL9887607 0.91 CYP11B1 (0.53) CYP11B1CYP11B2CYP19A1CYP17A1CHEK1
SCHEMBL12554999 0.89 CYP2A6 (0.44) CYP11B1CYP11B2CYP19A1CYP17A1CHEK1
SCHEMBL9887562 0.89 CYP11B1 (0.51) CYP11B1CYP11B2CYP19A1CYP17A1CHEK1
SCHEMBL9886995 0.87 TNF (0.41) CYP11B1CYP11B2CYP19A1CYP17A1MAPT
SCHEMBL9886989 0.85 IMPDH2 (0.45) CHEK1MAPTMEN1ALDH1A1KMT2A
SCHEMBL15860041 0.84 CYP11B1 (0.41) CYP11B1CYP11B2CYP19A1CYP17A1CHEK1
SCHEMBL9887334 0.83 MEN1 (0.38) CYP11B1CYP11B2CHEK1MAPTMEN1

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-2011068204-A1 BENZO[C]CARBAZOLE COMPOUND THAT HAS SUBSTITUENT BEARING PYRIDINE RING, AND ORGANIC ELECTROLUMINESCENT ELEMENT JNC株式会社 (JP) 2011-06-09 WO disclosed