SCHEMBL31473301

SCHEMBL31473301

O=Cc1nn(C2CCCCO2)c2cc(Br)ccc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 2/20 0.35
CYP4F2 P78329 2/20 0.33
CYP4A11 Q02928 2/20 0.33
DGAT2 Q96PD7 1/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 2/20 0.33
POLB P06746 1/20 0.33
MAPK1 P28482 2/20 0.32
MAPT P10636 2/20 0.32
TP53 P04637 1/20 0.32
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
GAA P10253 1/20 0.32
ATR Q13535 2/20 0.32
PDGFRA P16234 1/20 0.30
CDK5 Q00535 1/20 0.30
TYRO3 Q06418 1/20 0.30

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
SCHEMBL14658689 1.00 RET (0.35) RETCYP4F2CYP4A11DGAT2RXRA
SCHEMBL660435 0.90 ALDH1A1 (0.36) RETCYP4F2CYP4A11DGAT2RXRA
SCHEMBL5207506 0.85 DGAT2 (0.37) RETCYP4F2CYP4A11DGAT2RXRA
SCHEMBL12090322 0.85 CYP4F2 (0.38) RETCYP4F2CYP4A11DGAT2RXRA
SCHEMBL25392984 0.82 CYP4F2 (0.39) RETCYP4F2CYP4A11DGAT2RXRA
SCHEMBL29490842 0.82 CYP4F2 (0.34) RETCYP4F2CYP4A11DGAT2RXRA
SCHEMBL30040235 0.82 GAA (0.41) RETCYP4F2CYP4A11DGAT2RXRA
SCHEMBL2144493 0.82 GAA (0.41) RETCYP4F2CYP4A11DGAT2RXRA
SCHEMBL30615516 0.82 DGAT2 (0.38) RETCYP4F2CYP4A11DGAT2RXRA
SCHEMBL27169981 0.82 CYP4F2 (0.34) RETCYP4F2CYP4A11DGAT2RXRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119591604-A JAK inhibitor compounds and uses thereof 迈英诺医药科技(珠海)有限公司 2025-03-11 CN disclosed