SCHEMBL30436929

SCHEMBL30436929

COc1ccccc1Nc1c(C(C)=O)cnc2ccccc12

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.59
▸ RAB9A P51151 1/20 0.58
▸ KDM4E B2RXH2 1/20 0.54
▸ ALDH1A1 P00352 1/20 0.54
▸ LMNA P02545 1/20 0.54
▸ MAPT P10636 1/20 0.54
▸ HPGD P15428 1/20 0.54
▸ MAPK1 P28482 1/20 0.54
▸ TDP1 Q9NUW8 1/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ PDE4B Q07343 1/20 0.53
▸ CSF1R P07333 4/20 0.52

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
SCHEMBL10498699 0.86 ATP4A (0.67) —
SCHEMBL31307844 0.85 MAPT (0.69) KDM4EALDH1A1LMNAMAPTMAPK1
SCHEMBL11244223 0.85 MAPT (0.69) KDM4EALDH1A1LMNAMAPTMAPK1
Hydrochloric Acid SCHEMBL11241211 0.84 MAPT (0.68) KDM4EALDH1A1LMNAMAPTMAPK1
SCHEMBL9652120 0.79 ATP4A (0.77) —
SCHEMBL28609926 0.79 PDE4B (0.56) POLBKDM4EALDH1A1LMNAMAPT
SCHEMBL5929746 0.77 CSF1R (0.83) CSF1R
SCHEMBL5929718 0.77 CSF1R (0.66) PDE4BCSF1R
SCHEMBL5930153 0.77 CSF1R (0.66) PDE4BCSF1R
SCHEMBL9652126 0.75 CSF1R (0.61) KDM4EALDH1A1LMNAMAPTHPGD

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-113135852-B Preparation method of 4-aminoquinoline compound 中国科学院长春应用化学研究所 2023-06-20 — — CN disclosed
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