SCHEMBL30587701

SCHEMBL30587701

CON(C(=O)c1ccccc1Cl)c1ccc(I)cc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.49
TP53 P04637 1/20 0.46
CES2 O00748 2/20 0.41
CES1 P23141 2/20 0.41
HPGD P15428 3/20 0.40
TSHR P16473 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GPBAR1 Q8TDU6 1/20 0.39
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL31606639 0.84 TP53 (0.43) POLBTP53HPGDTSHRKMT2A
SCHEMBL30587706 0.79 POLB (0.45) POLBTP53CES2CES1HPGD
SCHEMBL31606638 0.78 HPGD (0.41) HPGDTSHRKMT2AALDH1A1RAB9A
SCHEMBL30587712 0.75 OXTR (0.42) HPGDTSHRKMT2AALDH1A1RAB9A
SCHEMBL308205 0.73 POLB (0.59) POLBTP53CES2CES1HPGD
SCHEMBL2595456 0.70 CDC25B (0.47) TP53HPGDTSHRKMT2AALDH1A1
SCHEMBL31606632 0.70 HPGD (0.48) TP53HPGDKMT2AALDH1A1RAB9A
SCHEMBL7062062 0.69 KMT2A (0.59) POLBTP53HPGDKMT2AALDH1A1
SCHEMBL11375658 0.69 POLB (0.58) POLBTP53CES2CES1HPGD
SCHEMBL30587703 0.69 CES2 (0.44) CES2CES1TSHRKMT2AALDH1A1

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