SCHEMBL10148544

SCHEMBL10148544

CCc1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(-c2nnc3c4ccccc4c4ccccc4n23)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.41
PGR P06401 2/20 0.37
RORA P35398 2/20 0.37
RORC P51449 2/20 0.37
RORB Q92753 2/20 0.37
MAPT P10636 4/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPK1 P28482 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TP53 P04637 2/20 0.33
OPRD1 P41143 1/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33
PTGER4 P35408 1/20 0.33
PDE2A O00408 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
AKR1C4 P17516 1/20 0.32
AKR1C3 P42330 1/20 0.32

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
SCHEMBL10127794 0.93 POLB (0.47) POLBPGRRORARORCRORB
SCHEMBL10127725 0.93 POLB (0.47) POLBPGRRORARORCRORB
SCHEMBL10127813 0.92 POLB (0.45) POLBPGRRORARORCRORB
SCHEMBL10127736 0.92 POLB (0.45) POLBPGRRORARORCRORB
SCHEMBL10127860 0.86 POLB (0.43) POLBMAPTALDH1A1MAPK1NPSR1
SCHEMBL10127777 0.86 POLB (0.43) POLBMAPTALDH1A1MAPK1NPSR1
SCHEMBL10127801 0.85 POLB (0.45) POLBPGRRORARORCRORB
SCHEMBL10127726 0.85 POLB (0.45) POLBPGRRORARORCRORB
SCHEMBL10127733 0.83 HSD11B1 (0.44) POLBPGRRORARORCRORB
SCHEMBL10127803 0.83 HSD11B1 (0.44) POLBPGRRORARORCRORB

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