SCHEMBL30516691

SCHEMBL30516691

O=C(O)c1ccccc1I.O=C(O)c1ccccc1I

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.65
ALOX15 P16050 1/20 0.65
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
NAPRT Q6XQN6 3/20 0.54
KDM4E B2RXH2 2/20 0.54
CA12 O43570 2/20 0.54
CA1 P00915 2/20 0.54
CA2 P00918 2/20 0.54
CA4 P22748 2/20 0.54
CA7 P43166 2/20 0.54
CA9 Q16790 2/20 0.54
HMGB1 P09429 1/20 0.54
HPGD P15428 1/20 0.54
CA6 P23280 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
CA14 Q9ULX7 1/20 0.54
MAPT P10636 3/20 0.52
HDAC8 Q9BY41 1/20 0.52

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
SCHEMBL40612 1.00 ALDH1A1 (0.65) ALDH1A1ALOX15MEN1KMT2ATDP1
SCHEMBL28182679 0.97 ALDH1A1 (0.62) ALDH1A1ALOX15MEN1KMT2ATDP1
SCHEMBL8615715 0.97 ALDH1A1 (0.62) ALDH1A1ALOX15MEN1KMT2ATDP1
Ammonia Solution, Strong SCHEMBL28171499 0.97 ALDH1A1 (0.62) ALDH1A1ALOX15MEN1KMT2ATDP1
SCHEMBL11794300 0.97 ALDH1A1 (0.62) ALDH1A1ALOX15MEN1KMT2ATDP1
Water SCHEMBL27874114 0.97 ALDH1A1 (0.62) ALDH1A1ALOX15MEN1KMT2ATDP1
Hydrochloric Acid SCHEMBL1241041 0.97 ALDH1A1 (0.62) ALDH1A1ALOX15MEN1KMT2ATDP1
SCHEMBL2058225 0.97 ALDH1A1 (0.62) ALDH1A1ALOX15MEN1KMT2ATDP1
Phosphine SCHEMBL28105283 0.97 ALDH1A1 (0.62) ALDH1A1ALOX15MEN1KMT2ATDP1
Phosphine SCHEMBL28835183 0.95 ALDH1A1 (0.59) ALDH1A1ALOX15MEN1KMT2ATDP1

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-113582847-B Improved method for preparing iodo-benzoic acid (ester) by sandmeyer reaction 湖北工业大学 2023-09-12 CN claimed