SCHEMBL23600930

SCHEMBL23600930

O=C(O)c1cc(I)cc(O)c1I

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.40
CA2 P00918 4/20 0.40
ALDH1A1 P00352 4/20 0.40
CA12 O43570 3/20 0.40
CA7 P43166 3/20 0.40
CA9 Q16790 3/20 0.40
CA14 Q9ULX7 3/20 0.40
PTGS2 P35354 2/20 0.40
ALOX5 P09917 1/20 0.40
TSHR P16473 1/20 0.40
PTPN1 P18031 3/20 0.39
PTPN2 P17706 2/20 0.39
PTPN6 P29350 2/20 0.39
PTPRC P08575 1/20 0.39
PTPRA P18433 1/20 0.39
PTPRB P23467 1/20 0.39
PTPRE P23469 1/20 0.39
KDM4E B2RXH2 3/20 0.38
HPGD P15428 2/20 0.38
TPMT P51580 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
SCHEMBL8285522 0.82 SELL (0.46) CA1CA2ALDH1A1CA12CA7
2,3,5-Triiodobenzoic Acid SCHEMBL39041 0.79 TPMT (0.50) CA1CA2ALDH1A1CA12CA7
SCHEMBL9744894 0.79 CA1 (0.41) CA1CA2ALDH1A1CA12CA7
SCHEMBL2954701 0.78 CASP7 (0.48) CA1CA2ALDH1A1CA12CA7
SCHEMBL25979871 0.78 AKR1C2 (0.46) ALDH1A1TSHRPTPN1PTPN2PTPN6
2,3,5-Triiodobenzoic Acid SCHEMBL6397062 0.77 TPMT (0.48) CA1CA2ALDH1A1CA12CA7
2,3,5-Triiodobenzoic Acid SCHEMBL23524593 0.77 TPMT (0.48) CA1CA2ALDH1A1CA12CA7
2,3,5-Triiodobenzoic Acid SCHEMBL2960018 0.77 TPMT (0.48) CA1CA2ALDH1A1CA12CA7
SCHEMBL25765869 0.76 NOTUM (0.40) ALDH1A1PTPN1PTPN2PTPN6PTPRC
SCHEMBL7522129 0.74 TTR (0.47)

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
US-20210200093-A1 COATING COMPOSITION FOR PHOTORESIST UNDERLAYER DUPONT SPECIALTY MATERIALS KOREA LTD (KR) 2021-07-01 US disclosed