SCHEMBL12554398

SCHEMBL12554398

c1ccc(-n2c3cc(-c4ccc(-c5cccnc5)nc4)ccc3c3c4ccccc4c(-c4ccc(-c5cccnc5)nc4)cc32)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.39
DHODH Q02127 1/20 0.39
CYP3A4 P08684 2/20 0.39
CYP1A2 P05177 1/20 0.39
POLB P06746 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
MAPT P10636 1/20 0.38
CHEK1 O14757 1/20 0.38
CYP2A6 P11509 2/20 0.37
EGLN1 Q9GZT9 1/20 0.37
METAP2 P50579 1/20 0.37
FYN P06241 1/20 0.37
PIM1 P11309 1/20 0.37
PIM3 Q86V86 1/20 0.37
PIM2 Q9P1W9 1/20 0.37
KMO O15229 1/20 0.36
JAK1 P23458 1/20 0.36
MDM2 Q00987 1/20 0.35

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
SCHEMBL12554358 0.92 CYP11B1 (0.45) CYP11B1DHODHCYP3A4CYP1A2POLB
SCHEMBL12554999 0.89 CYP2A6 (0.44) CYP11B1DHODHCYP3A4CYP2C19CHEK1
SCHEMBL9887459 0.88 CYP11B1 (0.40) CYP11B1DHODHCYP3A4MAPTCHEK1
SCHEMBL9973717 0.88 METAP2 (0.45) CYP11B1CYP3A4CYP1A2POLBCYP2C9
SCHEMBL9887001 0.87 CYP11B1 (0.44) CYP11B1DHODHCYP3A4CYP1A2POLB
SCHEMBL9887607 0.84 CYP11B1 (0.53) CYP11B1MAPTCHEK1CYP2A6
SCHEMBL16159213 0.83 PIM1 (0.39) CHEK1PIM1
SCHEMBL9973767 0.83 CYP2A6 (0.45) CYP3A4CYP1A2POLBCYP2C9CYP2C19
SCHEMBL24345161 0.82 CYP19A1 (0.42) CYP11B1DHODHMAPTCYP2A6METAP2
SCHEMBL9887562 0.82 CYP11B1 (0.51) CYP11B1CYP3A4CYP1A2CYP2C9CYP2C19

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