SCHEMBL31590969

SCHEMBL31590969

Cc1ccc(C=O)n1Cc1ccc(I)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
MAPT P10636 4/20 0.44
KDM4E B2RXH2 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
USP2 O75604 1/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
THRB P10828 1/20 0.44
NR4A1 P22736 1/20 0.44
APEX1 P27695 1/20 0.44
APOBEC3A P31941 1/20 0.44
RECQL P46063 1/20 0.44
HIF1A Q16665 1/20 0.44
APOBEC3G Q9HC16 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALOX15 P16050 1/20 0.42
LMNA P02545 6/20 0.40

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
SCHEMBL31590716 0.86 ALDH1A1 (0.46) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL31590884 0.85 VDR (0.49) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL31590479 0.83 ALDH1A1 (0.47) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL31591021 0.83 ALDH1A1 (0.44) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL3206324 0.83 ALDH1A1 (0.59) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL31590944 0.76 GAA (0.51) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL31590558 0.75 LMNA (0.33) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL31590915 0.71 ENPP1 (0.42) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL18247399 0.69 CCR2 (0.46) ALDH1A1KDM4ESMN1; SMN2GAALMNA
SCHEMBL3215499 0.69 VDR (0.49) ALDH1A1MAPTKDM4EMEN1KMT2A

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
CN-120040330-A Benzyl pyrrole compound and preparation method and application thereof 深圳技术大学 2025-05-27 CN disclosed