SCHEMBL28040100

SCHEMBL28040100

C1=Cc2c(-c3cccs3)ccc3cccc(c23)C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.37
TSHR P16473 1/20 0.37
MAOB P27338 1/20 0.35
ADRB1 P08588 1/20 0.34
ALDH1A1 P00352 4/20 0.34
KDM4E B2RXH2 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
HPGD P15428 2/20 0.34
MAPT P10636 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HTR1A P08908 2/20 0.33
HTR7 P34969 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
ADORA1 P30542 2/20 0.33
TMIGD3 P0DMS9 1/20 0.33
ADORA2A P29274 1/20 0.33
ATM Q13315 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
SCHEMBL10542837 0.83 TSHR (0.43) CYP3A4TSHRALDH1A1KDM4EHPGD
SCHEMBL27738343 0.76 TSHR (0.37) CYP3A4TSHRALDH1A1KDM4EHPGD
SCHEMBL28768034 0.75 PABPC1 (0.37) MAOBALDH1A1KDM4EMEN1KMT2A
SCHEMBL2970582 0.72 LTK (0.32) MAOBALDH1A1KDM4EMEN1KMT2A
SCHEMBL23668366 0.70 CYP3A4 (0.41) CYP3A4TSHRALDH1A1KDM4EMEN1
SCHEMBL20377849 0.70 CYP3A4 (0.41) CYP3A4TSHRALDH1A1KDM4EHPGD
SCHEMBL23546524 0.70 CYP3A4 (0.41) CYP3A4TSHRALDH1A1KDM4EHPGD
SCHEMBL3948797 0.70 CYP3A4 (0.41) CYP3A4TSHRALDH1A1KDM4EHPGD
SCHEMBL25429169 0.70 TSHR (0.41) CYP3A4TSHRALDH1A1KDM4EMEN1
SCHEMBL3700917 0.70 CYP3A4 (0.41) CYP3A4TSHRALDH1A1KDM4EHPGD

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
CN-104995706-A Photoelectric conversion element and solar cell comprising same KONICA MINOLTA INC 2015-10-21 CN disclosed