SCHEMBL30587714

SCHEMBL30587714

CON(C(=O)c1ccccc1)c1ccccc1-c1ccc(I)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LTB4R2 Q9NPC1 2/20 0.35
MAPT P10636 2/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
STAT3 P40763 1/20 0.34
TSHR P16473 1/20 0.34
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
LPAR1 Q92633 3/20 0.33
EGFR P00533 1/20 0.33
OXTR P30559 1/20 0.33
AVPR1A P37288 1/20 0.33
SLC6A4 P31645 2/20 0.33
SLC6A3 Q01959 2/20 0.33
NPC1 O15118 1/20 0.33
MAPK1 P28482 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
SCHEMBL30587712 0.81 OXTR (0.42) KMT2ASMN1; SMN2MAPTALDH1A1HPGD
SCHEMBL31606638 0.79 HPGD (0.41) KMT2AMEN1SMN1; SMN2ALDH1A1HPGD
SCHEMBL31606631 0.79 TSHR (0.40) NPSR1KMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL30587715 0.75 MEN1 (0.43) NPSR1KMT2AMEN1ALDH1A1HPGD
SCHEMBL30587713 0.75 MAPT (0.41) KMT2AMEN1SMN1; SMN2MAPTALDH1A1
SCHEMBL4526462 0.70 HPGD (0.50) NPSR1KMT2ASMN1; SMN2ALDH1A1HPGD
SCHEMBL2070026 0.70 NPC1 (0.44) NPSR1KMT2AMEN1SMN1; SMN2LTB4R2
SCHEMBL31606634 0.69 GABRP (0.40) KMT2AMEN1SMN1; SMN2MAPTALDH1A1
SCHEMBL7200742 0.69 MEN1 (0.46) NPSR1KMT2AMEN1SMN1; SMN2LTB4R2
SCHEMBL28698501 0.67 MEN1 (0.44) NPSR1KMT2AMEN1SMN1; SMN2LTB4R2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116924940-B Synthesis method of o-iodo-aniline derivative 信阳师范学院 2025-06-03 CN disclosed
CN-116924940-A Synthesis method of o-iodo-aniline derivative 信阳师范学院 2023-10-24 CN disclosed