SCHEMBL25562136

SCHEMBL25562136

O=C(O)C1=C(Br)c2ccccc2NCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.42
MEN1 O00255 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 2/20 0.42
NPC1 O15118 1/20 0.42
USP2 O75604 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
ALOX15 P16050 1/20 0.38
ALOX12 P18054 1/20 0.38
CASP1 P29466 1/20 0.38
MPI P34949 1/20 0.38
HTT P42858 1/20 0.38
CASP7 P55210 1/20 0.38
HSD17B10 Q99714 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
SCHEMBL25562062 0.72 BRD4 (0.37) MAPTMEN1ALDH1A1HPGDKMT2A
SCHEMBL68581 0.71 MEN1 (0.61) MAPTMEN1ALDH1A1HPGDKMT2A
SCHEMBL7255005 0.71 BRD4 (0.44) MAPTMEN1ALDH1A1HPGDKMT2A
SCHEMBL6641189 0.70 MAPT (0.34) MAPTMEN1ALDH1A1HPGDKMT2A
Hydrochloric Acid SCHEMBL5512697 0.70 MEN1 (0.59) MAPTMEN1ALDH1A1HPGDKMT2A
Hydrochloric Acid SCHEMBL29473284 0.70 MEN1 (0.59) MAPTMEN1ALDH1A1HPGDKMT2A
Hydrochloric Acid SCHEMBL7142299 0.70 MEN1 (0.59) MAPTMEN1ALDH1A1HPGDKMT2A
Lactic Acid SCHEMBL30205441 0.69 MEN1 (0.50) MAPTMEN1ALDH1A1HPGDKMT2A
Hydrochloric Acid SCHEMBL30205268 0.68 MEN1 (0.58) MAPTMEN1ALDH1A1HPGDKMT2A
SCHEMBL19150148 0.68 SRD5A2 (0.53) MAPTMEN1ALDH1A1HPGDKMT2A

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
WO-2023088420-A1 1H-BENZO[B]AZEPIN-2(3H)-ONE COMPOUNDS, COMPOSITIONS AND METHODS OF TREATING CANCER Chengdu Anticancer Bioscience, Ltd. (CN) 2023-05-25 WO disclosed