SCHEMBL31339931

SCHEMBL31339931

O=C(O)c1cc2ccc(I)cc2n(-c2ccc3ccncc3c2)c1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.35
TDO2 P48775 1/20 0.35
MAPT P10636 2/20 0.33
MRGPRX4 Q96LA9 1/20 0.33
CYP19A1 P11511 1/20 0.33
AOC3 Q16853 2/20 0.32
KCNH2 Q12809 1/20 0.32
PPARA Q07869 2/20 0.32
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
KDM6B O15054 1/20 0.31
KDM4A O75164 1/20 0.31
ALDH1A1 P00352 1/20 0.31
THRB P10828 1/20 0.31
KMT2A Q03164 1/20 0.31
KDM4D Q6B0I6 1/20 0.31
KDM4C Q9H3R0 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HASPIN Q8TF76 1/20 0.31

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
SCHEMBL31339844 0.95 CYP19A1 (0.38) MAPTCYP19A1AOC3KCNH2KDM4E
SCHEMBL31339846 0.79 STING1 (0.35) IDO1MAPTKDM4EMEN1ALDH1A1
SCHEMBL31339937 0.79 IDO1 (0.38) IDO1TDO2MAPTMRGPRX4CYP19A1
SCHEMBL31339859 0.76 MAT2A (0.38) IDO1TDO2
SCHEMBL31339843 0.75 SLC16A3 (0.42) MAPTKDM4EMEN1ALDH1A1KMT2A
SCHEMBL1289794 0.75 NOTUM (0.44) AOC3KCNH2KDM4EALDH1A1
SCHEMBL31042323 0.72 KDM4E (0.35) IDO1TDO2KDM4EALDH1A1HASPIN
SCHEMBL31339826 0.71 TDP2 (0.42) KCNH2PPARAKDM4EMEN1ALDH1A1
SCHEMBL31339837 0.69 NOTUM (0.52) KDM4EALDH1A1L3MBTL1
SCHEMBL31339912 0.68 TDP2 (0.45) CYP19A1KCNH2KDM4EMEN1ALDH1A1

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