SCHEMBL9722689

SCHEMBL9722689

Cc1cc(Br)c(OCC(=O)Nc2ccc(Cl)cn2)c(Br)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.63
RAB9A P51151 6/20 0.62
NPC1 O15118 4/20 0.62
TSHR P16473 3/20 0.62
MAPT P10636 3/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
MAPK1 P28482 2/20 0.60
TP53 P04637 2/20 0.60
PKM P14618 1/20 0.60
HPGD P15428 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
LMNA P02545 1/20 0.57
NFKB1 P19838 1/20 0.57
NFKB2 Q00653 1/20 0.57
RELA Q04206 1/20 0.57
TDP1 Q9NUW8 3/20 0.56
KDM4E B2RXH2 1/20 0.55
NR4A1 P22736 1/20 0.55
HSD17B10 Q99714 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55

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
SCHEMBL9722716 0.86 RAB9A (0.61) ALDH1A1RAB9ANPC1TSHRMAPT
SCHEMBL9722679 0.82 RAB9A (0.74) ALDH1A1RAB9ANPC1TSHRMAPT
SCHEMBL9722717 0.81 NPC1 (0.59) ALDH1A1RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL2947641 0.76 ALDH1A1 (0.74) ALDH1A1RAB9ANPC1TSHRMAPT
SCHEMBL30839242 0.76 ALDH1A1 (0.74) ALDH1A1RAB9ANPC1TSHRMAPT
Hydrochloric Acid SCHEMBL31072915 0.75 ALDH1A1 (0.72) ALDH1A1RAB9ANPC1TSHRMAPT
SCHEMBL13665148 0.75 TSHR (0.69) ALDH1A1RAB9ANPC1TSHRMAPT
SCHEMBL13665152 0.75 RAB9A (0.56) ALDH1A1RAB9ANPC1TSHRMAPT
SCHEMBL13515760 0.75 TSHR (0.66) ALDH1A1RAB9ANPC1TSHRMAPT
SCHEMBL18286188 0.74 RAB9A (0.67) ALDH1A1RAB9ANPC1TSHRMAPT

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
US-5139564-A Applying postemergence PARK SANG W (KR) 1992-08-18 US disclosed