SCHEMBL20071703

SCHEMBL20071703

Brc1ccc2ccc3c(c2c1)c1cccc2c4ccccc4n3c21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSPO P30536 3/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
RAD52 P43351 1/20 0.35
CYP2A6 P11509 1/20 0.35
ACHE P22303 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ALKBH5 Q6P6C2 1/20 0.33
FTO Q9C0B1 1/20 0.33

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
SCHEMBL20071437 0.91 CYP2A6 (0.37) TSPOMEN1KMT2AALDH1A1HPGD
SCHEMBL29649844 0.87 TSPO (0.44) TSPOMEN1KMT2AALDH1A1HPGD
SCHEMBL15453212 0.87 TSPO (0.44) TSPOMEN1KMT2AALDH1A1HPGD
SCHEMBL20071622 0.87 MEN1 (0.34) TSPOMEN1KMT2AALDH1A1HPGD
SCHEMBL21710492 0.85 ALDH1A1 (0.41) MEN1KMT2AALDH1A1HPGDKDM4E
SCHEMBL20070698 0.85 GABRP (0.39) MEN1KMT2AALDH1A1RXFP1
SCHEMBL20071623 0.84 CBX7 (0.32) TSPO
SCHEMBL22937153 0.83 TSPO (0.35) TSPOMEN1KMT2AALDH1A1HPGD
SCHEMBL22109813 0.82 CYP1A2 (0.39) TSPOMEN1KMT2AALDH1A1HPGD
SCHEMBL20465300 0.81 CYP2A6 (0.41) TSPOMEN1KMT2AALDH1A1HPGD

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-2018070836-A1 COMPOUND FOR ORGANIC ELECTRONIC DEVICE, ORGANIC ELECTRONIC DEVICE USING SAME AND ELECTRONIC APPARATUS THEREFOR 덕산네오룩스 주식회사 2018-04-19 WO disclosed