SCHEMBL30587707

SCHEMBL30587707

CON(C(=O)c1cccc(Cl)c1)c1ccccc1I

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.42
ALDH1A1 P00352 3/20 0.42
TP53 P04637 1/20 0.41
THRB P10828 1/20 0.41
PARP1 P09874 1/20 0.41
GRM5 P41594 1/20 0.40
GPBAR1 Q8TDU6 1/20 0.40
MAPT P10636 2/20 0.40
KCNK3 O14649 1/20 0.40
KCNK9 Q9NPC2 1/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38

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
SCHEMBL31606637 0.85 HPGD (0.47) HPGDTP53PARP1KCNK3KCNK9
SCHEMBL31606631 0.84 TSHR (0.40) HPGDALDH1A1TP53HTTNPC1
SCHEMBL30587709 0.84 TSHR (0.49) ALDH1A1PARP1KCNK3TDP1NPC1
SCHEMBL31606634 0.82 GABRP (0.40) HPGDALDH1A1MAPTHTTNPC1
SCHEMBL30587706 0.76 POLB (0.45) HPGDALDH1A1TP53KMT2ACYP1A2
SCHEMBL111914 0.73 HPGD (0.51) HPGDALDH1A1PARP1GPBAR1MAPT
SCHEMBL30587715 0.71 MEN1 (0.43) HPGDALDH1A1TP53THRBKCNK3
SCHEMBL31606636 0.71 KMT2A (0.41) HPGDALDH1A1TP53MAPTKCNK3
SCHEMBL23367890 0.71 KMT2A (0.35) HPGDALDH1A1TP53MAPTGAA
SCHEMBL30587713 0.71 MAPT (0.41) HPGDALDH1A1MAPTGAATDP1

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