SCHEMBL27817473

SCHEMBL27817473

O=CNc1ccc(I)c(N=O)c1

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 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
SCHEMBL22764029 0.77 ALDH1A1 (0.31) ALDH1A1
SCHEMBL12635347 0.73 ALDH1A1 (0.40) ALDH1A1LMNA
SCHEMBL28195239 0.69 ALDH1A1 (0.35) ALDH1A1LMNA
SCHEMBL10231043 0.69 ERN1 (0.31) —
SCHEMBL13363566 0.67 ALDH1A1 (0.54) ALDH1A1LMNA
SCHEMBL469386 0.67 ALDH1A1 (0.72) ALDH1A1LMNA
SCHEMBL1747944 0.66 ALDH1A1 (0.56) ALDH1A1LMNA
SCHEMBL27689981 0.66 ALDH1A1 (0.50) ALDH1A1LMNA
SCHEMBL28177256 0.66 TP53 (0.33) ALDH1A1LMNA
SCHEMBL22764290 0.66 TDP1 (0.31) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102307475-A Treatment of lung cancer with a PARP inhibitor in combination with a growth factor inhibitor BIPAR SCIENCES INC 2012-01-04 — — CN disclosed
CN-101888777-A Treatment of cancer with combinations of topoisomerase inhibitors and PARP inhibitors BIPAR SCIENCES INC 2010-11-17 — — CN disclosed
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