SCHEMBL30739092

SCHEMBL30739092

N#CCc1ccccc1CBr

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
HPGD P15428 1/20 0.47
CYP1A1 P04798 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP1B1 Q16678 2/20 0.43
TRPA1 O75762 1/20 0.35
TSHR P16473 1/20 0.35
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
CSNK2A1 P68400 2/20 0.34
FFAR1 O14842 3/20 0.34
FFAR4 Q5NUL3 1/20 0.34
ATP4A P20648 1/20 0.33
ATP4B P51164 1/20 0.33
KDM4E B2RXH2 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
LMNA P02545 1/20 0.32
EGFR P00533 1/20 0.32
SRC P12931 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
SCHEMBL1716296 1.00 ALDH1A1 (0.47) ALDH1A1HPGDCYP1A1CYP1A2CYP1B1
SCHEMBL1945874 0.87 ALDH1A1 (0.56) ALDH1A1HPGDCYP1A1CYP1A2CYP1B1
SCHEMBL29809738 0.87 ALDH1A1 (0.56) ALDH1A1HPGDCYP1A1CYP1A2CYP1B1
SCHEMBL27783461 0.82 ALDH1A1 (0.44) ALDH1A1HPGDCYP1A1CYP1A2CYP1B1
SCHEMBL8763318 0.80 ALDH1A1 (0.50) ALDH1A1HPGDCYP1A1CYP1A2CYP1B1
SCHEMBL29382225 0.79 TSHR (0.50) ALDH1A1CYP1A1CYP1A2CYP1B1TRPA1
SCHEMBL28289 0.79 TSHR (0.50) ALDH1A1CYP1A1CYP1A2CYP1B1TRPA1
SCHEMBL24176025 0.76 ALDH1A1 (0.47) ALDH1A1HPGDCYP1A1CYP1A2CYP1B1
SCHEMBL3917506 0.76 ALDH1A1 (0.47) ALDH1A1HPGDCYP1A1CYP1A2CYP1B1
SCHEMBL860437 0.76 ALDH1A1 (0.47) ALDH1A1HPGDCYP1A1CYP1A2CYP1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4561993-A1 INHIBITORS OF PLASMA KALLIKREIN Rezolute, Inc. (US) 2025-06-04 EP disclosed
CN-120051460-A Plasma kallikrein inhibitors 瑞泽路特有限公司 2025-05-27 CN disclosed
CN-119954712-A Compound containing phenoxynaphthalene and preparation method and application thereof 四川轻化工大学 2025-05-09 CN disclosed
WO-2024025907-A1 INHIBITORS OF PLASMA KALLIKREIN REZOLUTE, INC. (US) 2024-02-01 WO disclosed