SCHEMBL11064756

SCHEMBL11064756

O=C(NC(=O)c1ccc(Br)cc1)c1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.64
KMT2A Q03164 6/20 0.64
RAB9A P51151 4/20 0.64
NPC1 O15118 3/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
EPHX1 P07099 1/20 0.64
CYP1A2 P05177 1/20 0.64
CYP3A4 P08684 1/20 0.64
NFKB1 P19838 1/20 0.64
CYP2C19 P33261 1/20 0.64
CASP3 P42574 1/20 0.64
NFKB2 Q00653 1/20 0.64
RELA Q04206 1/20 0.64
SENP7 Q9BQF6 1/20 0.64
SENP6 Q9GZR1 1/20 0.64
TP53 P04637 1/20 0.62
ALDH1A1 P00352 5/20 0.60
MAPT P10636 3/20 0.60
KDM4E B2RXH2 1/20 0.60
HDAC3 O15379 1/20 0.58

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
SCHEMBL11068295 0.91 OGG1 (0.67) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL1594360 0.87 RAB9A (0.68) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL28471234 0.87 MEN1 (0.55) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL28394615 0.87 MEN1 (0.55) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL76489 0.86 ALDH1A1 (0.67) MEN1KMT2ARAB9ANPC1SMN1; SMN2
Hydrochloric Acid SCHEMBL27693713 0.84 ALDH1A1 (0.64) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL28435178 0.82 MEN1 (0.77) MEN1KMT2ARAB9ASMN1; SMN2EPHX1
SCHEMBL17336679 0.82 SMN1; SMN2 (0.64) MEN1KMT2ARAB9ANPC1SMN1; SMN2
Bromobenzene SCHEMBL27659220 0.82 ALDH1A1 (0.58) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL27784041 0.81 OGG1 (0.55) MEN1KMT2ARAB9ANPC1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115304606-B Degradation agent for simultaneously targeting BTK and GSPT proteins 清华大学 2024-04-19 CN disclosed
CN-115304606-A Degradation agent for simultaneously targeting BTK and GSPT1 proteins 清华大学 2022-11-08 CN disclosed
CN-112661584-B Preparation method of photocatalytic N-alkyl amide compound 大连理工大学 2022-08-05 CN disclosed
CN-112661584-A Preparation method of photocatalytic N-alkyl amide compound 大连理工大学 2021-04-16 CN disclosed
US-4447515-A DIACYLAMINE COMPOUND ADDED FUJI PHOTO FILM CO., LTD. (JP) 1984-05-08 US disclosed