SCHEMBL22080559

SCHEMBL22080559

C/C=N/c1ccccc1NC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.40
▸ POLB P06746 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ RECQL P46063 2/20 0.40
▸ USP2 O75604 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ CYP2C9 P11712 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ PABPC1 P11940 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ EGFR P00533 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ HTR6 P50406 1/20 0.33
▸ SPHK2 Q9NRA0 1/20 0.33

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
SCHEMBL15981344 1.00 KDM4E (0.40) KDM4EPOLBMAPTTDP1L3MBTL1
SCHEMBL15497903 0.78 CA12 (0.46) KDM4EPOLBMAPTL3MBTL1ALDH1A1
SCHEMBL21755864 0.78 CA12 (0.46) KDM4EPOLBMAPTL3MBTL1ALDH1A1
SCHEMBL24611844 0.78 POLB (0.36) KDM4EPOLBMAPTTDP1L3MBTL1
SCHEMBL8409901 0.78 MAPT (0.36) KDM4EPOLBMAPTTDP1L3MBTL1
SCHEMBL19598101 0.78 TSHR (0.41) KDM4EMAPTALDH1A1NPSR1CYP2C9
SCHEMBL12740474 0.77 POLB (0.43) KDM4EPOLBMAPTTDP1L3MBTL1
SCHEMBL29566126 0.77 MAPT (0.46) KDM4EPOLBMAPTTDP1L3MBTL1
SCHEMBL5496315 0.77 MAPT (0.46) KDM4EPOLBMAPTTDP1L3MBTL1
SCHEMBL5496317 0.77 MAPT (0.46) KDM4EPOLBMAPTTDP1L3MBTL1

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
WO-2020114482-A1 ISOINDOLINE COMPOUND, AND PREPARATION METHOD, PHARMACEUTICAL COMPOSITION, AND APPLICATION OF ISOINDOLINE COMPOUND 中国科学院上海药物研究所 2020-06-11 — — WO disclosed
Send feedback