SCHEMBL25936734

SCHEMBL25936734

C1=C(c2ccc(OCc3ccccc3)cc2)CCCNC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 4/20 0.55
SIGMAR1 Q99720 1/20 0.49
HTR2C P28335 1/20 0.47
MAOB P27338 4/20 0.46
GSTP1 P09211 1/20 0.46
LMNA P02545 1/20 0.45
CYP1A2 P05177 1/20 0.45
PTGS1 P23219 1/20 0.45
SLC6A2 P23975 1/20 0.45
CYP2C19 P33261 1/20 0.45
PTGS2 P35354 1/20 0.45
SLC6A3 Q01959 1/20 0.45
HIF1A Q16665 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
MAOA P21397 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL4672600 0.92 PRMT5 (0.64) PRMT5SIGMAR1HTR2CMAOBGSTP1
Hydrochloric Acid SCHEMBL29923085 0.90 PRMT5 (0.62) PRMT5SIGMAR1HTR2CMAOBGSTP1
SCHEMBL10041855 0.80 MAOB (0.50) MAOBGSTP1LMNACYP1A2PTGS1
SCHEMBL9492793 0.79 LMNA (0.56) MAOBGSTP1LMNACYP1A2PTGS1
SCHEMBL17072360 0.78 GSTP1 (0.49) MAOBGSTP1LMNACYP1A2PTGS1
SCHEMBL1954669 0.78 SIGMAR1 (0.77) SIGMAR1HTR2CMAPTQDPRHTR6
Hydrochloric Acid SCHEMBL6795900 0.77 HTR2C (0.78) SIGMAR1HTR2CMAPTQDPRHTR6
SCHEMBL29505098 0.76 INPPL1 (0.64) PRMT5SIGMAR1HTR2CQDPRHTR6
SCHEMBL4002546 0.75 PRMT5 (0.61) PRMT5SIGMAR1HTR2CMAOBLMNA
SCHEMBL14704894 0.74 QDPR (0.54) SIGMAR1HTR2CCYP1A2MAPTQDPR

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
CN-118574821-A Compounds and their use in the treatment of cancer 阿斯利康(瑞典)有限公司 2024-08-30 CN disclosed
WO-2023139199-A1 COMPOUNDS AND THEIR USE IN TREATING CANCER ASTRAZENECA AB (SE) 2023-07-27 WO disclosed