SCHEMBL22227188

SCHEMBL22227188

O=c1[nH]oc2cc(I)ccc12

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DAO P14920 3/20 0.61
▸ CTNNB1 P35222 1/20 0.43
▸ TCF7L2 Q9NQB0 1/20 0.43
▸ PARP1 P09874 1/20 0.37
▸ AKR1C3 P42330 1/20 0.34
▸ AKR1C2 P52895 1/20 0.34
▸ TUBB4A P04350 1/20 0.33
▸ TUBB P07437 1/20 0.33
▸ TUBA3C P0DPH7 1/20 0.33
▸ TUBA1B P68363 1/20 0.33
▸ TUBA4A P68366 1/20 0.33
▸ TUBB4B P68371 1/20 0.33
▸ TUBB3 Q13509 1/20 0.33
▸ TUBB2A Q13885 1/20 0.33
▸ TUBB8 Q3ZCM7 1/20 0.33
▸ TUBA3E Q6PEY2 1/20 0.33
▸ TUBA1A Q71U36 1/20 0.33
▸ TUBA1C Q9BQE3 1/20 0.33
▸ TUBB6 Q9BUF5 1/20 0.33
▸ TUBB2B Q9BVA1 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
SCHEMBL30182741 1.00 DAO (0.61) DAOCTNNB1TCF7L2PARP1AKR1C3
SCHEMBL3526289 0.76 DAO (0.61) DAOCTNNB1TCF7L2
SCHEMBL1100359 0.76 DAO (0.61) DAOCTNNB1TCF7L2PARP1
SCHEMBL11130742 0.76 DAO (0.61) DAO
SCHEMBL481926 0.76 DAO (1.00) DAOCTNNB1TCF7L2PARP1
SCHEMBL9411282 0.76 DAO (0.61) DAOCTNNB1TCF7L2PARP1AKR1C3
SCHEMBL8116280 0.76 DAO (0.61) DAOCTNNB1TCF7L2
SCHEMBL12604602 0.72 DAO (0.56) DAOCTNNB1TCF7L2PARP1
SCHEMBL20505755 0.68 DAO (0.53) DAOCTNNB1TCF7L2AKR1C3AKR1C2
SCHEMBL20917286 0.66 MAPT (0.50) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113226310-B 15-PGDH inhibitors 杏林制药株式会社 2024-03-19 — — CN disclosed
CN-113226310-A 15-PGDH inhibitors 杏林制药株式会社 2021-08-06 — — CN disclosed
WO-2020145250-A1 15-PGDH INHIBITOR 杏林製薬株式会社 2020-07-16 — — WO disclosed
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