SCHEMBL28113839

SCHEMBL28113839

Cc1ccccc1-c1c[nH]c(-c2ccccc2C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.40
ALOX15 P16050 3/20 0.40
RAB9A P51151 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
USP2 O75604 2/20 0.40
MAPT P10636 2/20 0.40
TSHR P16473 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
TRPA1 O75762 1/20 0.40
BRD4 O60885 1/20 0.40
HTR7 P34969 3/20 0.39
GRIA1 P42261 1/20 0.38
CACNG8 Q8WXS5 1/20 0.38
HTR1A P08908 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38

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
SCHEMBL31547319 0.89 BRD4 (0.41) HPGDRAB9ASMN1; SMN2MAPTTSHR
SCHEMBL27659674 0.78 RAB9A (0.39) HPGDALOX15RAB9ASMN1; SMN2USP2
SCHEMBL1155984 0.74 TRIM24 (0.40) HPGDALOX15RAB9ASMN1; SMN2USP2
SCHEMBL17280164 0.74 NUDT1 (0.35) TRPA1BRD4HTR7HTR1A
SCHEMBL193781 0.74 LRRK2 (0.41) HPGDALOX15RAB9ASMN1; SMN2USP2
SCHEMBL19897390 0.73 TSHR (0.50) HPGDRAB9ASMN1; SMN2TSHRTRPA1
SCHEMBL11470567 0.71 KDM4E (0.46) MAPTTRPA1BRD4GRIA1CACNG8
SCHEMBL3633054 0.70 CA12 (0.61) HPGDRAB9ASMN1; SMN2TSHRTRPA1
SCHEMBL29551674 0.70 CA12 (0.61) HPGDRAB9ASMN1; SMN2TSHRTRPA1
SCHEMBL19577765 0.69 HTR7 (0.60) HPGDRAB9ASMN1; SMN2TSHRTRPA1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106083686-B The method of alpha-brominated acetophenone oxime ether synthesis 2,4- diaryl pyrrole class compound 苏州大学 2019-01-22 CN disclosed
CN-106083686-A The method that α bromoacetophenone oxime ether synthesizes 2,4 diaryl pyrrole compounds 苏州大学 2016-11-09 CN disclosed