SCHEMBL28929559

SCHEMBL28929559

CN1CCc2cc(F)c([N+](=O)[O-])cc2C1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ MAPT P10636 6/20 0.41
▸ ALDH1A1 P00352 3/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ GRM5 P41594 1/20 0.40
▸ LMNA P02545 3/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.39
▸ HTR2A P28223 1/20 0.37
▸ HTR2C P28335 1/20 0.37
▸ HTR2B P41595 1/20 0.37
▸ DRD2 P14416 2/20 0.36
▸ AOC3 Q16853 2/20 0.36
▸ ESPL1 Q14674 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL30242496 1.00 MEN1 (0.49) MEN1KMT2AMAPTALDH1A1CYP1A2
SCHEMBL27156530 0.84 MEN1 (0.50) MEN1KMT2AALDH1A1GRM5HTR2A
SCHEMBL29771862 0.83 KMT2A (0.49) MEN1KMT2AMAPTALDH1A1GRM5
SCHEMBL2205991 0.81 MEN1 (0.69) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL30242551 0.81 MEN1 (0.69) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL25947319 0.80 MEN1 (0.46) MEN1KMT2ACYP1A2CYP2D6GRM5
SCHEMBL29771861 0.79 MEN1 (0.52) MEN1KMT2AMAPTALDH1A1CYP1A2
SCHEMBL12559535 0.77 MEN1 (0.55) MEN1KMT2AGRM5DRD2AOC3
SCHEMBL7894568 0.75 ATM (0.42) MAPTALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL5986824 0.74 MEN1 (0.55) MEN1KMT2AGRM5DRD2AOC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117120090-A HPK1 antagonists and uses thereof 林伯士萨顿公司 2023-11-24 — — CN disclosed
CN-115916759-A Substituted quinazoline compound, preparation method, pharmaceutical composition and application thereof 南京红云生物科技有限公司 2023-04-04 — — CN disclosed
CN-115697996-A Alkenyl pyrimidine compound, preparation method and application thereof 南京红云生物科技有限公司 2023-02-03 — — CN disclosed
CN-113717156-A EGFR inhibitor, preparation method and application thereof 南京红云生物科技有限公司 2021-11-30 — — CN disclosed
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