SCHEMBL30184653

SCHEMBL30184653

[2H]C([2H])([2H])Oc1cc(Br)ccc1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
TDP1 Q9NUW8 3/20 0.45
CYP3A4 P08684 2/20 0.45
TSHR P16473 1/20 0.45
HSD17B10 Q99714 1/20 0.45
APP P05067 3/20 0.45
MAPT P10636 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
POLB P06746 1/20 0.41
GAA P10253 2/20 0.38
MGAM O43451 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
HTT P42858 1/20 0.38
KDM4E B2RXH2 2/20 0.37
GLA P06280 1/20 0.37
ADRA2B P18089 1/20 0.34
PTGS1 P23219 1/20 0.34
MAPK1 P28482 1/20 0.34
MEN1 O00255 1/20 0.33

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
SCHEMBL155113 0.85 ALDH1A1 (0.61) ALDH1A1TDP1CYP3A4TSHRHSD17B10
Bromide SCHEMBL7931348 0.83 ALDH1A1 (0.59) ALDH1A1TDP1CYP3A4TSHRHSD17B10
Hydrochloric Acid SCHEMBL28039298 0.83 ALDH1A1 (0.61) ALDH1A1TDP1CYP3A4TSHRHSD17B10
SCHEMBL2373683 0.72 HRH4 (0.46) ALDH1A1TDP1CYP3A4TSHRHSD17B10
SCHEMBL30988808 0.72 SLC6A4 (0.39) ALDH1A1TDP1L3MBTL1GAAMGAM
SCHEMBL3856079 0.72 ALDH1A1 (0.66) ALDH1A1TDP1TSHRHSD17B10MAPT
SCHEMBL1299012 0.72 ALDH1A1 (0.52) ALDH1A1TDP1CYP3A4TSHRHSD17B10
SCHEMBL30184555 0.71 ALDH1A1 (0.40) ALDH1A1TDP1CYP3A4TSHRHSD17B10
SCHEMBL31449970 0.69 ALDH1A1 (0.44) ALDH1A1TDP1CYP3A4TSHRHSD17B10
SCHEMBL25033177 0.69 ALDH1A1 (0.43) ALDH1A1TDP1CYP3A4TSHRHSD17B10

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
EP-4384510-A1 COMPOUNDS TARGETING MUTANT OF P53 Jacobio Pharmaceuticals Co., Ltd. (CN) 2024-06-19 EP disclosed
WO-2023016434-A1 COMPOUNDS TARGETING MUTANT OF P53 JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2023-02-16 WO disclosed