SCHEMBL13680471

SCHEMBL13680471

COC(=O)c1ccc(-c2cccc(C)n2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.50
TGFBR1 P36897 1/20 0.49
ALDH1A1 P00352 6/20 0.49
ALDH1A3 P47895 2/20 0.49
KDM4E B2RXH2 5/20 0.49
MAPT P10636 4/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
LMNA P02545 2/20 0.49
GAA P10253 1/20 0.49
HPGD P15428 3/20 0.48
RXFP1 Q9HBX9 1/20 0.48
TSHR P16473 1/20 0.47
CCR1 P32246 1/20 0.47
CCR8 P51685 1/20 0.47
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
NFKB1 P19838 2/20 0.47
NFKB2 Q00653 2/20 0.47

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
SCHEMBL13680584 0.86 GABRG2 (0.53) LMNATSHRCCR1CCR8NPC1
SCHEMBL28928896 0.83 ASIC3 (0.51) TDP1ALDH1A1ALDH1A3KDM4EMAPT
SCHEMBL4000335 0.83 L3MBTL1 (0.51) TDP1ALDH1A1ALDH1A3KDM4EMAPT
SCHEMBL2346786 0.81 RARA (0.55) ALDH1A1KDM4EGAAHPGDCCR1
SCHEMBL13680472 0.81 CCR1 (0.52) TGFBR1ALDH1A1MAPTHPGDCCR1
SCHEMBL13680554 0.81 GRM5 (0.53) TGFBR1KDM4EMEN1KMT2AHPGD
SCHEMBL13680501 0.81 GRM5 (0.52) TGFBR1MAPTMEN1KMT2ACCR1
SCHEMBL302398 0.80 ALDH1A1 (0.50) TDP1ALDH1A1ALDH1A3KDM4EMAPT
Hydrochloric Acid SCHEMBL3088531 0.80 RARA (0.54) ALDH1A1KDM4EGAAHPGDCCR1
SCHEMBL12270020 0.80 TGFBR1 (0.50) TGFBR1CCR1CCR8CYP2A6GRM5

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed