SCHEMBL11064796

SCHEMBL11064796

[O-][S+](CCBr)NCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.41
IDO1 P14902 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
THRB P10828 1/20 0.40
ALDH1A1 P00352 2/20 0.39
TRPA1 O75762 1/20 0.39
TSHR P16473 1/20 0.39
MAPT P10636 4/20 0.39
CYP3A4 P08684 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALOX12 P18054 2/20 0.36
ADH1B P00325 1/20 0.36
ADH1C P00326 1/20 0.36
ADH1A P07327 1/20 0.36
ADH7 P40394 1/20 0.36
HPGD P15428 1/20 0.36
CA12 O43570 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36

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
SCHEMBL28665142 0.81 IDO1 (0.44) TDP1IDO1MEN1KMT2ATHRB
SCHEMBL11061936 0.80 IDO1 (0.40) TDP1IDO1MEN1KMT2ATHRB
SCHEMBL27900484 0.77 EPHX2 (0.42) TDP1IDO1MEN1KMT2ATHRB
SCHEMBL11059719 0.73 TDP1 (0.33) TDP1IDO1ALDH1A1TRPA1TSHR
SCHEMBL10133107 0.73 RAB9A (0.47) MEN1KMT2AALDH1A1CA2
SCHEMBL18602719 0.72 CYP3A4 (0.48) TDP1IDO1MEN1KMT2ATHRB
SCHEMBL13888911 0.68 LMNA (0.49) TDP1KMT2AALDH1A1MAPTKDM4E
SCHEMBL28832597 0.68 CYP3A4 (0.43) TDP1IDO1MEN1KMT2ATHRB
SCHEMBL28085850 0.68 CYP3A4 (0.43) TDP1IDO1MEN1KMT2ATHRB
SCHEMBL10315634 0.68 SIGMAR1 (0.46) TDP1IDO1MEN1KMT2ATHRB

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-4427439-A Composition for plant growth regulation GAF CORPORATION (US) 1984-01-24 US disclosed