SCHEMBL28710100

SCHEMBL28710100

CCn1nc2ccc(C)cc2c1C=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APOBEC3A P31941 1/20 0.36
▸ APOBEC3G Q9HC16 1/20 0.36
▸ ALDH1A1 P00352 5/20 0.36
▸ L3MBTL1 Q9Y468 3/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ TP53 P04637 1/20 0.36
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ ELANE P08246 2/20 0.35
▸ KDM4E B2RXH2 5/20 0.34
▸ HPGD P15428 3/20 0.34
▸ USP2 O75604 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ CASP1 P29466 1/20 0.34
▸ CASP7 P55210 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ ADORA2A P29274 2/20 0.34
▸ ADORA2B P29275 2/20 0.34

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
SCHEMBL28458103 0.83 KDM4E (0.41) ALDH1A1L3MBTL1KDM4EMAPK1PARP1
SCHEMBL28456400 0.79 MPO (0.42) ALDH1A1L3MBTL1MEN1KMT2AKDM4E
SCHEMBL21120831 0.78 MCHR1 (0.42) APOBEC3AAPOBEC3GALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL15792334 0.76 ADORA2A (0.37) APOBEC3AAPOBEC3GALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL28698900 0.75 BCL2A1 (0.40) ALDH1A1L3MBTL1SMN1; SMN2KDM4EHPGD
SCHEMBL20116566 0.68 KDM4E (0.40) APOBEC3AAPOBEC3GALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL21631385 0.66 — —
SCHEMBL21192222 0.66 MEN1 (0.39) ALDH1A1L3MBTL1SMN1; SMN2TP53MEN1
SCHEMBL21192221 0.66 TP53 (0.46) ALDH1A1SMN1; SMN2TP53MEN1KMT2A
SCHEMBL13699783 0.65 GAA (0.54) ALDH1A1SMN1; SMN2MEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114213331-B URAT1 inhibitor and application thereof 江苏新元素医药科技有限公司 2024-06-21 — — CN disclosed
CN-108727267-B URAT1 inhibitor and application thereof 江苏新元素医药科技有限公司 2022-05-13 — — CN disclosed
CN-114213331-A URAT1 inhibitor and application thereof 江苏新元素医药科技有限公司 2022-03-22 — — CN disclosed
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