SCHEMBL9886641

SCHEMBL9886641

Cc1cc(N)cc(-c2cccc(-c3ccccc3)c2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.59
ALDH1A1 P00352 3/20 0.48
TSHR P16473 1/20 0.48
ADORA1 P30542 2/20 0.45
ADORA2A P29274 1/20 0.45
TAAR1 Q96RJ0 2/20 0.43
HSD17B10 Q99714 2/20 0.43
CYP3A4 P08684 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
DHODH Q02127 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
MAP4K4 O95819 1/20 0.40
RAB9A P51151 2/20 0.39
KDM4E B2RXH2 1/20 0.38
USP2 O75604 1/20 0.38
LMNA P02545 1/20 0.38
HSP90AA1 P07900 1/20 0.38

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
SCHEMBL13447692 0.96 MAOA (0.59) MAOAALDH1A1TSHRADORA1ADORA2A
SCHEMBL3787853 0.94 ALDH1A1 (0.55) MAOAALDH1A1TSHRADORA1ADORA2A
SCHEMBL12354295 0.92 ALDH1A1 (0.52) MAOAALDH1A1TSHRADORA1ADORA2A
SCHEMBL23625516 0.90 DHODH (0.47) MAOAALDH1A1TSHRTAAR1HSD17B10
SCHEMBL13447709 0.90 MAOA (0.56) MAOAALDH1A1TSHRHSD17B10CYP3A4
SCHEMBL14036342 0.89 MAOA (0.52) MAOAALDH1A1TSHRADORA1ADORA2A
SCHEMBL27948002 0.89 MAOA (0.52) MAOAALDH1A1TSHRADORA1ADORA2A
SCHEMBL3789404 0.88 MAOA (0.58) MAOAALDH1A1TSHRHSD17B10CYP3A4
SCHEMBL18324673 0.88 ALDH1A1 (0.52) MAOAALDH1A1TSHRHSD17B10DHODH
Hydrogen Sulfide SCHEMBL27621093 0.87 MAOA (0.50) MAOAALDH1A1TSHRADORA1ADORA2A

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-2012073679-A1 QUINOLINO[3,2,1-KL]PHENOXAZINE COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT USING THE SAME CANON KABUSHIKI KAISHA (JP) 2012-06-07 WO disclosed