SCHEMBL31402003

SCHEMBL31402003

N#CCCc1cccc[13c]1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
SIGMAR1 Q99720 2/20 0.38
CYP3A4 P08684 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ALOX15 P16050 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
CYP1A2 P05177 2/20 0.35
CYP1A1 P04798 1/20 0.35
CYP1B1 Q16678 1/20 0.35
FDPS P14324 1/20 0.35
EGFR P00533 1/20 0.35
FFAR1 O14842 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
ALDH1A1 P00352 4/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
ATM Q13315 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
SCHEMBL2062907 1.00 MEN1 (0.43) MEN1KMT2ASIGMAR1CYP3A4SMN1; SMN2
Hydrochloric Acid SCHEMBL27623677 0.98 MEN1 (0.42) MEN1KMT2ASIGMAR1CYP3A4SMN1; SMN2
SCHEMBL6751703 0.88 ATM (0.41) MEN1KMT2ASIGMAR1CYP3A4SMN1; SMN2
SCHEMBL15624079 0.86 SIGMAR1 (0.38) MEN1KMT2ASIGMAR1CYP3A4SMN1; SMN2
SCHEMBL8764227 0.84 MEN1 (0.52) MEN1KMT2ACYP1A2CYP1A1CYP1B1
SCHEMBL11827357 0.82 MEN1 (0.44) MEN1KMT2ACYP3A4EGFRALDH1A1
SCHEMBL24263298 0.80 CYP3A4 (0.46) MEN1KMT2ACYP3A4ALDH1A1POLB
SCHEMBL10706165 0.80 MEN1 (0.42) MEN1KMT2AFFAR1FFAR4TAAR1
SCHEMBL9018624 0.78 MITF (0.47) SIGMAR1CYP3A4SMN1; SMN2ALOX15CASP1
SCHEMBL5983914 0.78 FDPS (0.39) SIGMAR1CYP3A4SMN1; SMN2ALOX15CASP1

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-119306622-A Preparation method of C isotope labeled phenylalanine or phenylglycine derivative 江苏金伯奇同位素科技有限公司 2025-01-14 CN disclosed