SCHEMBL28840596

SCHEMBL28840596

COC(=O)c1cc2ncsc2cc1Br

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.40
NPC1 O15118 7/20 0.40
KMT2A Q03164 7/20 0.40
MEN1 O00255 5/20 0.40
KDM4E B2RXH2 5/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
TDP1 Q9NUW8 3/20 0.40
HKDC1 Q2TB90 1/20 0.40
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
DAO P14920 1/20 0.37
PTK6 Q13882 1/20 0.37
HPGD P15428 1/20 0.36
NPSR1 Q6W5P4 2/20 0.36
PPARG P37231 1/20 0.36
MAPK10 P53779 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
NCOR2 Q9Y618 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36

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
SCHEMBL29852050 1.00 RAB9A (0.40) RAB9ANPC1KMT2AMEN1KDM4E
SCHEMBL28922177 0.83 GAA (0.49) RAB9ANPC1KMT2AMEN1KDM4E
SCHEMBL31519906 0.82 KDM4E (0.49) RAB9ANPC1KMT2AMEN1KDM4E
SCHEMBL29851968 0.81 NPC1 (0.51) RAB9ANPC1KMT2AMEN1KDM4E
SCHEMBL28840648 0.81 NPC1 (0.51) RAB9ANPC1KMT2AMEN1KDM4E
SCHEMBL8980162 0.77 KDM4E (0.47) RAB9ANPC1KMT2AMEN1KDM4E
SCHEMBL3735091 0.76 NPC1 (0.38) RAB9ANPC1KMT2AMEN1KDM4E
SCHEMBL197110 0.74 SOS1 (0.50) KMT2AKDM4EL3MBTL1TDP1ALDH1A1
SCHEMBL6058046 0.74 CYP3A4 (0.46) RAB9ANPC1KMT2AMEN1KDM4E
SCHEMBL11226829 0.72 PTK6 (0.46) RAB9ANPC1KMT2AMEN1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116867758-A IRAK degradation agents and uses thereof 凯麦拉医疗公司 2023-10-10 CN disclosed
CN-116133692-A Methods of treating mutant lymphomas 凯麦拉医疗公司 2023-05-16 CN disclosed
CN-115052627-A IRAK degrading agents and uses thereof 凯麦拉医疗公司 2022-09-13 CN disclosed