SCHEMBL13680475

SCHEMBL13680475

Cc1cccc(-c2ccc(OC(=O)N(C)C)cc2)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.56
NPC1 O15118 4/20 0.50
ALDH1A1 P00352 3/20 0.50
PKM P14618 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
KDM4E B2RXH2 2/20 0.50
MAPT P10636 2/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
TSHR P16473 1/20 0.48
KMT2A Q03164 2/20 0.48
HPGD P15428 1/20 0.47
ACHE P22303 5/20 0.45
MEN1 O00255 1/20 0.44
GAA P10253 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
NCEH1 Q6PIU2 1/20 0.43
CCR1 P32246 1/20 0.43
CCR8 P51685 1/20 0.43

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
SCHEMBL13680502 0.83 RAB9A (0.60) RAB9ANPC1ALDH1A1PKMSMN1; SMN2
SCHEMBL13680556 0.82 MEN1 (0.46) RAB9ANPC1ALDH1A1KMT2AMEN1
SCHEMBL13680474 0.79 ALDH1A1 (0.55) RAB9ANPC1ALDH1A1PKMSMN1; SMN2
SCHEMBL13680473 0.77 TGFBR1 (0.48) ALDH1A1SMN1; SMN2KDM4ETSHRKMT2A
SCHEMBL13680842 0.77 RAB9A (0.45) RAB9ANPC1ALDH1A1PKMSMN1; SMN2
SCHEMBL3422361 0.75 CCR1 (0.75) RAB9AALDH1A1MAPTKMT2AHPGD
SCHEMBL6450091 0.75 RAB9A (1.00) RAB9AALDH1A1PKMTSHRKMT2A
SCHEMBL30738654 0.74 RAB9A (0.73) RAB9ANPC1ALDH1A1PKMSMN1; SMN2
SCHEMBL2614971 0.74 MAPK14 (0.60) RAB9ANPC1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL13680483 0.73 TSHR (0.49) RAB9ANPC1SMN1; SMN2MAPTNFKB1

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