SCHEMBL31014288

SCHEMBL31014288

O=c1[nH]nc(-c2ccc(Cl)cc2)c2ccccc12

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.73
NPSR1 Q6W5P4 1/20 0.73
KDM4E B2RXH2 3/20 0.59
ALDH1A1 P00352 2/20 0.59
POLB P06746 1/20 0.59
GAA P10253 1/20 0.59
MAPT P10636 1/20 0.59
ALOX15 P16050 1/20 0.59
HSD17B10 Q99714 1/20 0.59
LMNA P02545 2/20 0.58
NCOA1 Q15788 1/20 0.57
NCOA3 Q9Y6Q9 1/20 0.57
MAPK1 P28482 1/20 0.57
ROCK1 Q13464 6/20 0.56
ROCK2 O75116 4/20 0.56
TSHR P16473 1/20 0.55
PDE4A P27815 1/20 0.55
PDE4B Q07343 1/20 0.55
PDE4C Q08493 1/20 0.55
PDE4D Q08499 1/20 0.55

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
SCHEMBL706420 1.00 ATM (0.73) ATMNPSR1KDM4EALDH1A1POLB
SCHEMBL29870198 0.85 NPSR1 (1.00) ATMNPSR1KDM4EALDH1A1POLB
SCHEMBL581143 0.85 NPSR1 (1.00) ATMNPSR1KDM4EALDH1A1POLB
SCHEMBL1932753 0.85 NPSR1 (0.54) ATMNPSR1KDM4EALDH1A1POLB
SCHEMBL1791310 0.82 ATM (0.73) ATMNPSR1KDM4EALDH1A1POLB
SCHEMBL31014290 0.82 ATM (0.73) ATMNPSR1KDM4EALDH1A1POLB
SCHEMBL29710440 0.82 ATM (0.73) ATMNPSR1KDM4EALDH1A1POLB
SCHEMBL3710852 0.82 ATM (0.73) ATMNPSR1KDM4EALDH1A1POLB
SCHEMBL1904310 0.82 ATM (0.73) ATMNPSR1KDM4EALDH1A1POLB
SCHEMBL29363334 0.82 ATM (0.73) ATMNPSR1KDM4EALDH1A1POLB

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