SCHEMBL10148546

SCHEMBL10148546

Cc1ccc2c(c1)c1cc(CC(C)(C)C)ccc1n2-c1ccc(-c2nnc3c4ccccc4c4ccccc4n23)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
MAPT P10636 3/20 0.38
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
AKR1C4 P17516 1/20 0.35
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
AKR1C1 Q04828 1/20 0.35
TP53 P04637 2/20 0.35
PGR P06401 1/20 0.34
RORA P35398 1/20 0.34
RORC P51449 1/20 0.34
RORB Q92753 1/20 0.34
RXFP1 Q9HBX9 2/20 0.33
THRB P10828 1/20 0.32
MAOA P21397 1/20 0.31
PDE2A O00408 1/20 0.31

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
SCHEMBL10127717 0.89 POLB (0.47) POLBMAPTALDH1A1KDM4EHPGD
SCHEMBL10127718 0.89 POLB (0.47) POLBMAPTALDH1A1KDM4EHPGD
SCHEMBL10127787 0.89 POLB (0.47) POLBMAPTALDH1A1KDM4EHPGD
SCHEMBL10127801 0.85 POLB (0.45) POLBMAPTALDH1A1AKR1C4AKR1C3
SCHEMBL10127726 0.85 POLB (0.45) POLBMAPTALDH1A1AKR1C4AKR1C3
SCHEMBL10127794 0.85 POLB (0.47) POLBMAPTALDH1A1KDM4EHPGD
SCHEMBL10127725 0.85 POLB (0.47) POLBMAPTALDH1A1KDM4EHPGD
SCHEMBL10127793 0.83 POLB (0.46) POLBMAPTALDH1A1KDM4EHPGD
SCHEMBL10127803 0.83 HSD11B1 (0.44) POLBMAPTTP53PGRRORA
SCHEMBL10127733 0.83 HSD11B1 (0.44) POLBMAPTTP53PGRRORA

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-2012017842-A1 TRIAZOLE DERIVATIVE, HETEROCYCLIC COMPOUND, LIGHT-EMITTING ELEMENT, LIGHT-EMITTING DEVICE, ELECTRONIC DEVICE AND LIGHTING DEVICE SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-02-09 WO disclosed