SCHEMBL31014285

SCHEMBL31014285

Cc1ccc2c(-c3ccccc3)n[nH]c(=O)c2c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.67
ATM Q13315 1/20 0.67
LMNA P02545 4/20 0.51
TSHR P16473 1/20 0.51
ROCK1 Q13464 2/20 0.49
MAPK1 P28482 4/20 0.48
MAP2K4 P45985 3/20 0.48
MAPKAPK3 Q16644 2/20 0.48
MAPK6 Q16659 2/20 0.48
PDE4A P27815 1/20 0.48
PDE4B Q07343 1/20 0.48
PDE4C Q08493 1/20 0.48
PDE4D Q08499 1/20 0.48
KDM4E B2RXH2 5/20 0.48
ALDH1A1 P00352 4/20 0.48
MAPT P10636 3/20 0.48
POLB P06746 1/20 0.48
GAA P10253 1/20 0.48
ALOX15 P16050 1/20 0.48
HSD17B10 Q99714 1/20 0.48

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
SCHEMBL31014284 0.94 NPSR1 (0.67) NPSR1ATMLMNATSHRROCK1
SCHEMBL16363708 0.84 ATM (0.46) NPSR1ATMLMNATSHRMAP2K4
SCHEMBL4837386 0.82 ENPP1 (0.56) LMNAROCK1MAPK1MAP2K4MAPKAPK3
SCHEMBL1786578 0.81 ATM (0.73) NPSR1ATMLMNATSHRROCK1
SCHEMBL24000807 0.81 MAP2K4 (0.50) NPSR1ATMLMNATSHRMAPK1
SCHEMBL29870198 0.81 NPSR1 (1.00) NPSR1ATMLMNATSHRROCK1
SCHEMBL581143 0.81 NPSR1 (1.00) NPSR1ATMLMNATSHRROCK1
SCHEMBL4843618 0.80 GSK3A (0.65) NPSR1ATMROCK1MAPK1PDE4A
SCHEMBL31014283 0.78 NPSR1 (0.68) NPSR1ATMLMNATSHRROCK1
SCHEMBL4005413 0.78 MAP2K4 (0.65) MAPK1MAP2K4MAPKAPK3MAPK6KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118496166-A Preparation method of phthalazinone compound 五邑大学 2024-08-16 CN claimed
CN-118496166-A Preparation method of phthalazinone compound 五邑大学 2024-08-16 CN disclosed