SCHEMBL29401404

SCHEMBL29401404

OC(O)CCc1cnccn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
VNN1 O95497 1/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C9 P11712 2/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
IDO1 P14902 1/20 0.35
CYP2D6 P10635 2/20 0.34
HSP90AA1 P07900 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
NAPRT Q6XQN6 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
PSMB5 P28074 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
SCHEMBL3298714 0.82 KDM4E (0.35) KDM4EALDH1A1SMN1; SMN2VNN1CYP1A2
SCHEMBL28996404 0.79 HSP90AA1 (0.33) KDM4EALDH1A1SMN1; SMN2VNN1CYP1A2
SCHEMBL8525645 0.79 HSP90AA1 (0.38) KDM4EALDH1A1SMN1; SMN2VNN1CYP1A2
SCHEMBL1829926 0.79 ALDH1A1 (0.38) KDM4EALDH1A1SMN1; SMN2VNN1CYP1A2
SCHEMBL29530008 0.76
SCHEMBL839885 0.76
SCHEMBL28362525 0.75 HSP90AA1 (0.40) KDM4EVNN1CYP1A2CYP2C9HDAC3
SCHEMBL21408565 0.73 DAO (0.38) KDM4EALDH1A1SMN1; SMN2VNN1HDAC3
SCHEMBL21408568 0.73 DAO (0.38) KDM4EALDH1A1SMN1; SMN2VNN1HDAC3
SCHEMBL1856670 0.72 HRH1 (0.57) ALDH1A1SMN1; SMN2CYP1A2CYP3A4CYP2C19

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-112390800-B Preparation method of L-erythro biopterin compound 江苏众强药业有限公司 2022-03-11 CN disclosed