SCHEMBL6914243

SCHEMBL6914243

CC(C)(N)c1ccccc1Br.[MgH2]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.44
CA1 P00915 2/20 0.44
CA5A P35218 1/20 0.44
CA9 Q16790 1/20 0.44
ALDH1A1 P00352 3/20 0.39
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
TSHR P16473 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
TAAR1 Q96RJ0 2/20 0.33
SLC6A2 P23975 1/20 0.33
HSD11B1 P28845 1/20 0.33
NOS3 P29474 2/20 0.32
NOS1 P29475 2/20 0.32
NOS2 P35228 2/20 0.32
IDO1 P14902 2/20 0.31
PLCG1 P19174 1/20 0.31
MAPK1 P28482 1/20 0.31
HSD17B10 Q99714 1/20 0.31
HTR2C P28335 1/20 0.31

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
SCHEMBL7767481 0.98 CA2 (0.45) CA2CA1CA5ACA9ALDH1A1
SCHEMBL3672153 0.83 CA2 (0.45) CA2CA1CA5ACA9ALDH1A1
SCHEMBL10058473 0.79 CA2 (0.42) CA2CA1CA5ACA9ALDH1A1
SCHEMBL30678520 0.79 ALDH1A1 (0.43) CA2ALDH1A1TSHRTDP1TAAR1
SCHEMBL48365 0.79 ALDH1A1 (0.43) CA2ALDH1A1TSHRTDP1TAAR1
SCHEMBL292047 0.77 ALDH1A1 (0.50) CA2CA1CA5ACA9ALDH1A1
SCHEMBL9275642 0.77 ALDH1A1 (0.43) CA2CA1CA5ACA9ALDH1A1
SCHEMBL28655742 0.77 ALDH1A1 (0.43) CA2CA1CA5ACA9ALDH1A1
SCHEMBL5080120 0.77 ALDH1A1 (0.43) CA2CA1CA5ACA9ALDH1A1
SCHEMBL30503531 0.77 ALDH1A1 (0.50) CA2CA1CA5ACA9ALDH1A1

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-2004074333-A2 PROCESS FOR HOMO- OR COPOLYMERIZATIONOF CONJUGATED OLEFINES DOW GLOBAL TECHNOLOGIES INC. (US) 2004-09-02 WO disclosed