SCHEMBL30833677

SCHEMBL30833677

O=[N+]([O-])c1ccc2c(N3CCC(N4CCOCC4)CC3)n[nH]c2c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.43
ALDH1A1 P00352 4/20 0.41
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
POLB P06746 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
RHOA P61586 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPT P10636 1/20 0.38
ACHE P22303 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
AKR1C3 P42330 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL30833680 1.00 MAPK1 (0.43) MAPK1ALDH1A1MEN1KMT2ACYP1A2
SCHEMBL29190586 1.00 MAPK1 (0.43) MAPK1ALDH1A1MEN1KMT2ACYP1A2
SCHEMBL29190669 0.89 MAPK1 (0.52) MAPK1ALDH1A1MEN1KMT2ACYP1A2
SCHEMBL30833685 0.89 MAPK1 (0.52) MAPK1ALDH1A1MEN1KMT2ACYP1A2
SCHEMBL30833752 0.87 MEN1 (0.41) MAPK1ALDH1A1MEN1KMT2ARHOA
SCHEMBL29190644 0.87 MEN1 (0.41) MAPK1ALDH1A1MEN1KMT2ARHOA
SCHEMBL30833762 0.81 MAPK1 (0.44) MAPK1L3MBTL1HRH3
SCHEMBL29190689 0.81 MAPK1 (0.44) MAPK1L3MBTL1HRH3
SCHEMBL2466571 0.79 MAPK1 (0.52) MAPK1ALDH1A1MEN1KMT2ACYP1A2
SCHEMBL4784574 0.77 SIRT6 (0.50) MAPK1ALDH1A1MEN1KMT2ACYP1A2

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-113896744-B Selective EGFR inhibitor 成都先导药物开发股份有限公司 2024-04-16 CN disclosed