SCHEMBL11560347

SCHEMBL11560347

Cc1cccc(-c2nc(-c3ccccc3CBr)n(C)n2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 1/20 0.48
RAB9A P51151 7/20 0.47
NPC1 O15118 7/20 0.47
NR1H2 P55055 2/20 0.47
NR1H3 Q13133 2/20 0.47
HSD17B2 P37059 1/20 0.44
MAPT P10636 4/20 0.40
KDM4C Q9H3R0 1/20 0.40
SMN1; SMN2 Q16637 5/20 0.40
L3MBTL1 Q9Y468 4/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TDP1 Q9NUW8 3/20 0.39
MAPK1 P28482 2/20 0.39
TP53 P04637 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 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
SCHEMBL11556621 0.88 NR1H3 (0.61) TDP2RAB9ANPC1NR1H2NR1H3
SCHEMBL11553037 0.88 NR1H3 (0.48) TDP2RAB9ANPC1NR1H2NR1H3
SCHEMBL11621091 0.87 TDP2 (0.48) TDP2RAB9ANPC1NR1H2NR1H3
SCHEMBL11553898 0.85 TDP2 (0.46) TDP2RAB9ANPC1NR1H2NR1H3
SCHEMBL11553734 0.82 TDP2 (0.53) TDP2RAB9ANPC1NR1H2NR1H3
SCHEMBL12434742 0.77 FFAR1 (0.45) RAB9ANPC1MAPTSMN1; SMN2L3MBTL1
SCHEMBL11560320 0.76 RAB9A (0.43) RAB9ANPC1NR1H2NR1H3MAPT
SCHEMBL11555296 0.74 NR1H3 (0.61) TDP2RAB9ANPC1NR1H2NR1H3
SCHEMBL11555110 0.73 NR1H2 (0.46) RAB9ANPC1NR1H2NR1H3HSD17B2
SCHEMBL8301501 0.73 RAB9A (0.51) TDP2RAB9ANPC1NR1H2NR1H3

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-4151169-A DECYCLIZATION, CYCLIZATION GRUPPO LEPETIT (IT) 1979-04-24 US disclosed
US-4119635-A SEDATIVES, HYPNOTICS, TRANQUILIZERS GRUPPO LEPETIT S.P.A. (IT) 1978-10-10 US disclosed