SCHEMBL13433264

SCHEMBL13433264

Cc1ccc2c(Br)c3cc(C(C)(C)C)ccc3c(Br)c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
KIF11 P52732 5/20 0.40
ALDH1A1 P00352 4/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MAPT P10636 3/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
PKM P14618 1/20 0.33
RECQL P46063 1/20 0.33
KMT2A Q03164 1/20 0.33
POLB P06746 1/20 0.33
HSD17B2 P37059 2/20 0.33
HTR1D P28221 1/20 0.32
PLA2G1B P04054 1/20 0.32
NFKB1 P19838 1/20 0.32

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
SCHEMBL285463 0.90 ALDH1A1 (0.43) TSHRKIF11ALDH1A1HPGDALOX15
SCHEMBL30304254 0.90 ALDH1A1 (0.43) TSHRKIF11ALDH1A1HPGDALOX15
SCHEMBL13433265 0.90 ALDH1A1 (0.43) TSHRKIF11ALDH1A1HPGDALOX15
SCHEMBL2246981 0.84 KIF11 (0.52) TSHRKIF11ALDH1A1HPGDALOX15
SCHEMBL28563878 0.83 CYP1A2 (0.41) KIF11ALDH1A1HPGDALOX15HSD17B10
SCHEMBL25611896 0.81 ALDH1A1 (0.43) TSHRKIF11ALDH1A1HPGDALOX15
SCHEMBL2254241 0.79 KIF11 (0.36) TSHRKIF11ALDH1A1HPGDALOX15
SCHEMBL26431559 0.79 TSHR (0.41) TSHRKIF11ALDH1A1HPGDALOX15
SCHEMBL31177931 0.78 KIF11 (0.38) TSHRKIF11ALDH1A1HPGDALOX15
SCHEMBL26431532 0.78 KIF11 (0.46) TSHRKIF11ALDH1A1HPGDALOX15

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-7670506-B1 Photoactive compositions for liquid deposition E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-03-02 US disclosed