SCHEMBL31339896

SCHEMBL31339896

O=C(O)c1cc2ccc(Br)cc2n(-c2ccc(F)cc2)c1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.48
KDM4E B2RXH2 2/20 0.42
LMNA P02545 1/20 0.42
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
GPR35 Q9HC97 1/20 0.39
PTGER1 P34995 3/20 0.37
MYC P01106 1/20 0.37
NR4A1 P22736 1/20 0.37
TDP2 O95551 1/20 0.36
TP53 P04637 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAP2K1 Q02750 1/20 0.36
GLA P06280 1/20 0.36
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL31339891 0.87 NOTUM (0.50) NOTUMKDM4EGRIN1GRIN2AGRIN2B
SCHEMBL31339914 0.87 NOTUM (0.48) NOTUMGRIN1GRIN2AGRIN2BGRIN2C
SCHEMBL31339902 0.84 KDM4E (0.42) NOTUMKDM4ELMNAGPR35MEN1
SCHEMBL31339878 0.83 SMN1; SMN2 (0.43) KDM4EMEN1KMT2ATDP1POLB
SCHEMBL31339915 0.81 MAPT (0.44) NOTUMKDM4ELMNATP53MEN1
SCHEMBL31339875 0.80 TGFBR1 (0.36) KDM4EGRIN1GRIN2AGRIN2BGRIN2C
SCHEMBL1289794 0.78 NOTUM (0.44) NOTUMKDM4ELMNAPOLB
SCHEMBL23147392 0.74 NOTUM (0.58) NOTUMKDM4ELMNAMYCTP53
SCHEMBL21776571 0.72 NOTUM (0.46) NOTUMKDM4ELMNATP53KMT2A
SCHEMBL19512066 0.72 ALDH1A1 (0.53) KDM4ELMNATP53MEN1KMT2A

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
EP-4501912-A1 NOVEL HETEROCYCLIC COMPOUND Shouyao Holdings (Beijing) Co., Ltd. (CN) 2025-02-05 EP disclosed