SCHEMBL30808235

SCHEMBL30808235

O=Cc1cc(I)ccc1Cl

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ERN1 O75460 6/20 0.57
▸ TDP1 Q9NUW8 4/20 0.45
▸ ALDH1A1 P00352 2/20 0.41
▸ VCAM1 P19320 1/20 0.37
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ BLM P54132 1/20 0.35
▸ RAD51 Q06609 1/20 0.33
▸ IDO1 P14902 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ ALDH1A3 P47895 1/20 0.32
▸ DAPK3 O43293 1/20 0.31

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
SCHEMBL1438997 1.00 ERN1 (0.57) ERN1TDP1ALDH1A1VCAM1MEN1
SCHEMBL11323164 0.82 TDP1 (0.61) ERN1TDP1ALDH1A1MEN1KMT2A
SCHEMBL5157078 0.78 ERN1 (0.64) ERN1TDP1ALDH1A1MEN1KMT2A
SCHEMBL3799010 0.77 ALDH1A1 (0.48) ERN1ALDH1A1IDO1
SCHEMBL42560 0.76 TDP1 (0.67) ERN1TDP1ALDH1A1VCAM1MAPK1
SCHEMBL29818700 0.74 ALDH1A1 (0.67) ERN1TDP1ALDH1A1VCAM1ALDH1A3
SCHEMBL3787764 0.74 ALDH1A1 (0.67) ERN1TDP1ALDH1A1VCAM1ALDH1A3
SCHEMBL155042 0.73 ERN1 (0.57) ERN1TDP1ALDH1A1VCAM1
SCHEMBL1710916 0.73 ERN1 (0.57) ERN1TDP1ALDH1A1MEN1KMT2A
SCHEMBL13350064 0.73 TDP1 (0.45) ERN1TDP1ALDH1A1VCAM1MEN1

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-110305118-B Synthetic method suitable for industrial production of enggliflozin 四川科伦药物研究院有限公司 2024-04-02 — — CN disclosed
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