SCHEMBL5576466

SCHEMBL5576466

C1=CC2=NC1=CC1=NC(=CC3=NC(=CC4=NC(=C2)C=C4)C(c2cccs2)=C3c2cccs2)C=C1

nearest known ligand 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ RPS6KB2 Q9UBS0 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
SCHEMBL5576021 0.77 KDM4E (0.33) KDM4EMEN1ALDH1A1MAPTHPGD
SCHEMBL28842539 0.72 LTA4H (0.36) KDM4EMEN1ALDH1A1MAPTHPGD
SCHEMBL7482990 0.71 PDPK1 (0.30) —
SCHEMBL225879 0.69 ALDH1A1 (0.32) ALDH1A1MAPTHPGD
SCHEMBL5013694 0.68 — —
SCHEMBL28963744 0.67 — —
SCHEMBL80003 0.63 — —
SCHEMBL9754335 0.63 — —
SCHEMBL7538292 0.63 — —
SCHEMBL28679551 0.62 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7291503-B2 Reversible resistivity-based sensors MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2007-11-06 — — US claimed
US-20040235184-A1 Reversible resistivity-based sensors MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2004-11-25 — — US claimed
US-7291503-B2 Reversible resistivity-based sensors MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2007-11-06 — — US disclosed
US-20040235184-A1 Reversible resistivity-based sensors MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2004-11-25 — — US disclosed
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