SCHEMBL29789969

SCHEMBL29789969

[2H]C([2H])([2H])n1cnc(C(=O)OC)c1Br

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.39
KDM4C Q9H3R0 2/20 0.38
KDM2B Q8NHM5 1/20 0.38
KDM4E B2RXH2 4/20 0.37
KDM6B O15054 1/20 0.37
KDM5C P41229 1/20 0.37
KDM2A Q9Y2K7 1/20 0.37
KDM3A Q9Y4C1 1/20 0.37
APOBEC3A P31941 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
MAPK1 P28482 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
MAPT P10636 2/20 0.33
JMJD6 Q6NYC1 1/20 0.33
ALDH1A1 P00352 3/20 0.33
TSHR P16473 2/20 0.33
MAPK10 P53779 2/20 0.33
PPARG P37231 1/20 0.33
KMT2A Q03164 1/20 0.33
RXFP1 Q9HBX9 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
SCHEMBL19737998 0.88 NPSR1 (0.43) NPSR1KDM4CKDM2BKDM4EAPOBEC3A
SCHEMBL24596265 0.73 NPSR1 (0.39) NPSR1KDM4EAPOBEC3AAPOBEC3GL3MBTL1
SCHEMBL24596346 0.72 NPSR1 (0.38) NPSR1KDM4EMAPK1L3MBTL1MAPT
SCHEMBL13651660 0.72 NPSR1 (0.45) NPSR1KDM4CKDM4EAPOBEC3AAPOBEC3G
SCHEMBL71364 0.72 APOBEC3A (0.46) NPSR1KDM4EAPOBEC3AAPOBEC3GL3MBTL1
SCHEMBL12255736 0.72 NPSR1 (0.45) NPSR1KDM4EAPOBEC3AAPOBEC3GL3MBTL1
SCHEMBL31336866 0.70 KDM4E (0.44) NPSR1KDM4EAPOBEC3AAPOBEC3GL3MBTL1
SCHEMBL31336864 0.70 NPSR1 (0.43) NPSR1KDM4CKDM4EAPOBEC3AAPOBEC3G
SCHEMBL13651652 0.70 NPSR1 (0.43) NPSR1KDM4EAPOBEC3AAPOBEC3GL3MBTL1
SCHEMBL31336867 0.70 KDM4E (0.44) NPSR1KDM4EAPOBEC3AAPOBEC3GL3MBTL1

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-2022143864-A1 TRICYCLIC COMPOUND AND USE THEREOF 江苏先声药业有限公司 2022-07-07 WO disclosed