SCHEMBL23696299

SCHEMBL23696299

Cc1ccc2[nH]c(=O)cc(I)c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.53
▸ KDM4E B2RXH2 9/20 0.50
▸ MAPT P10636 6/20 0.50
▸ MEN1 O00255 3/20 0.50
▸ KMT2A Q03164 3/20 0.50
▸ NPC1 O15118 3/20 0.50
▸ CA12 O43570 1/20 0.50
▸ CA9 Q16790 1/20 0.50
▸ PKM P14618 1/20 0.50
▸ POLB P06746 1/20 0.50
▸ LMNA P02545 6/20 0.47
▸ HPGD P15428 6/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ TNKS2 Q9H2K2 1/20 0.47
▸ HSD17B10 Q99714 6/20 0.46
▸ TP53 P04637 1/20 0.45

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
SCHEMBL31475465 0.82 LMNA (0.67) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL9724162 0.82 LMNA (0.67) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL8214267 0.78 ALDH1A1 (0.53) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL2272868 0.78 ALDH1A1 (0.59) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL5453934 0.78 ALDH1A1 (0.53) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL8210948 0.78 LMNA (0.56) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL31081977 0.78 ALDH1A1 (0.59) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL12533056 0.75 AR (0.57) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL19690118 0.75 AR (0.56) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL19751533 0.75 CYP1A2 (0.62) ALDH1A1KDM4EMEN1KMT2ACA12

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
WO-2023098699-A1 COMPOUNDS AND THEIR USES AS CD38 INHIBITORS NANJING IMMUNOPHAGE BIOTECH CO., LTD (CN) 2023-06-08 — — WO disclosed
WO-2022010948-A1 NOVEL CELL METABOLISM MODULATING COMPOUNDS AND USES THEREOF FOR THE TREATMENT OF VIRAL DISEASES CRESCENTA BIOSCIENCES (US) 2022-01-13 — — WO disclosed
WO-2021150645-A1 NOVEL CELL METABOLISM MODULATING COMPOUNDS AND USES THEREOF CRESCENTA BIOSCIENCES (US) 2021-07-29 — — WO disclosed
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