SCHEMBL31412914

SCHEMBL31412914

Clc1nccn1Cc1ccc(Br)cn1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 8/20 0.47
GRM2 Q14416 2/20 0.40
LMNA P02545 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
GBA1 P04062 1/20 0.34
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
CYP19A1 P11511 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 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
SCHEMBL26129994 0.80 CYP11B1 (0.47) KCNH2GRM2LMNAL3MBTL1CYP19A1
SCHEMBL31412907 0.78 KCNH2 (0.40) KCNH2LMNAL3MBTL1
SCHEMBL29348967 0.72 GRM2 (0.41) GRM2LMNAGBA1HDAC4HDAC1
SCHEMBL31637527 0.72 GRM2 (0.41) GRM2LMNAGBA1HDAC4HDAC1
SCHEMBL31434507 0.71 TRAP1 (0.43) KCNH2
SCHEMBL29348988 0.70 POLB (0.44) GRM2LMNAL3MBTL1HDAC4HDAC1
SCHEMBL31068166 0.70 POLB (0.44) GRM2LMNAL3MBTL1HDAC4HDAC1
SCHEMBL30645004 0.69 CYP11B1 (0.60) CYP19A1CYP11B1CYP11B2
SCHEMBL15240751 0.69 CYP11B1 (0.60) CYP19A1CYP11B1CYP11B2
SCHEMBL7696003 0.69 GRM2 (0.38) GRM2GBA1

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
WO-2025044927-A1 THIOPHENE SULFONYL CARBAMATE AS AT2R AGONIST, AND USE THEREOF 武汉人福创新药物研发中心有限公司 2025-03-06 WO disclosed
CN-119504722-A Thiophene sulfonyl carbamate serving as AT2R agonist and application thereof 武汉人福创新药物研发中心有限公司 2025-02-25 CN disclosed