SCHEMBL16964095

SCHEMBL16964095

Cn1ccc(-c2cccc(O)c2Br)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.43
▸ CASP6 P55212 1/20 0.40
▸ KEAP1 Q14145 1/20 0.37
▸ ADRA1D P25100 1/20 0.35
▸ ADRA1A P35348 1/20 0.35
▸ ADRA1B P35368 1/20 0.35
▸ TGFBR1 P36897 1/20 0.35
▸ IDO1 P14902 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ JMJD6 Q6NYC1 1/20 0.33
▸ USP30 Q70CQ3 1/20 0.33
▸ MKNK1 Q9BUB5 1/20 0.33
▸ MKNK2 Q9HBH9 1/20 0.33
▸ NT5E P21589 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ TSHR P16473 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
SCHEMBL1095492 0.83 KMT2A (0.55) KMT2ACASP6KEAP1ADRA1DADRA1A
Hydrochloric Acid SCHEMBL30549511 0.82 KMT2A (0.53) KMT2ACASP6KEAP1ADRA1DADRA1A
SCHEMBL6312157 0.81 KMT2A (0.44) KMT2ACASP6KEAP1ADRA1DADRA1A
SCHEMBL3319361 0.76 KMT2A (0.40) KMT2ACASP6KEAP1USP30
SCHEMBL29790479 0.74 KMT2A (0.53) KMT2ACASP6KEAP1ADRA1DADRA1A
SCHEMBL22940968 0.70 CASP6 (0.49) KMT2ACASP6KEAP1ADRA1DADRA1A
SCHEMBL24359763 0.70 GABRA1 (0.50) KMT2ACASP6KEAP1ADRA1DADRA1A
SCHEMBL18378772 0.69 KMT2A (0.47) KMT2AKEAP1ADRA1DADRA1AADRA1B
SCHEMBL23108234 0.69 ERN1 (0.44) KMT2ACASP6KEAP1ADRA1DADRA1A
SCHEMBL29767299 0.68 KMT2A (0.55) KMT2AKEAP1ADRA1DADRA1AADRA1B

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
EP-2900655-A1 TETRAZOLINONE COMPOUNDS AND THEIR USE AS PESTICIDES SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2015-08-05 — — EP disclosed
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