SCHEMBL18683068

SCHEMBL18683068

Cc1cc(Br)c2c(ccn2I)c1N

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ TP53 P04637 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL31500714 0.70 HKDC1 (0.32) ALDH1A1KDM4ELMNAGAAHPGD
SCHEMBL15365325 0.69 CA1 (0.42) ALDH1A1KDM4E
SCHEMBL18995311 0.67 ALDH1A1 (0.37) ALDH1A1KDM4ELMNAGAAHPGD
SCHEMBL15374082 0.67 ALDH1A1 (0.37) ALDH1A1KDM4ELMNAGAAHPGD
SCHEMBL30640460 0.66 CTSB (0.42) ALDH1A1KDM4ELMNAGAAHPGD
SCHEMBL3267567 0.66 CTSB (0.42) ALDH1A1KDM4ELMNAGAAHPGD
SCHEMBL19457535 0.66 ALDH1A1 (0.33) ALDH1A1KDM4ELMNAGAAHPGD
Hydrochloric Acid SCHEMBL11797987 0.64 CTSB (0.41) ALDH1A1KDM4ELMNAGAAHPGD
SCHEMBL18683016 0.62 CYP1A1 (0.33) ALDH1A1KDM4ELMNAGAAHPGD
SCHEMBL28128739 0.62 ALDH1A1 (0.37) ALDH1A1KDM4ELMNAGAAHPGD

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
EP-2855456-B1 COMPLEMENT PATHWAY MODULATORS AND USES THEREOF NOVARTIS AG (CH) 2017-03-29 — — EP disclosed
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