SCHEMBL27727175

SCHEMBL27727175

O=C(Br)C1CCc2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PIN1 Q13526 5/20 0.58
▸ KCNQ2 O43526 1/20 0.47
▸ IDO1 P14902 2/20 0.43
▸ PDPK1 O15530 1/20 0.43
▸ CRBN Q96SW2 1/20 0.43
▸ ACP3 P15309 1/20 0.43
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ CYP11B2 P19099 1/20 0.41
▸ HTT P42858 1/20 0.41

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
SCHEMBL4830828 0.84 PIN1 (0.62) PIN1KCNQ2IDO1PDPK1CRBN
SCHEMBL907688 0.82 PIN1 (0.60) PIN1KCNQ2IDO1PDPK1ACP3
SCHEMBL12431131 0.82 PIN1 (0.60) PIN1KCNQ2IDO1PDPK1ACP3
SCHEMBL2790690 0.82 PIN1 (0.60) PIN1KCNQ2IDO1PDPK1ACP3
SCHEMBL1400973 0.82 PIN1 (0.60) PIN1KCNQ2IDO1PDPK1ACP3
SCHEMBL1567245 0.82 PIN1 (0.60) PIN1KCNQ2IDO1PDPK1CRBN
SCHEMBL8848989 0.81 PIN1 (0.58) PIN1KCNQ2IDO1PDPK1CRBN
SCHEMBL4742598 0.81 PIN1 (0.58) PIN1KCNQ2IDO1PDPK1CRBN
Hydrochloric Acid SCHEMBL7213722 0.81 PIN1 (0.58) PIN1KCNQ2IDO1PDPK1TSHR
SCHEMBL176930 0.81 PIN1 (0.58) PIN1KCNQ2IDO1PDPK1CRBN

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
CN-101223243-A Water-soluble azo compound, ink composition and colored body NIPPON KAYAKU KK (JP) 2008-07-16 — — CN disclosed
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