SCHEMBL8623920

SCHEMBL8623920

CNC(=O)C(I)c1ccc2ccc3cccc4ccc1c2c34

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.45
▸ HPGD P15428 5/20 0.45
▸ KDM4E B2RXH2 2/20 0.45
▸ MAPT P10636 1/20 0.45
▸ HSD17B10 Q99714 5/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ TSHR P16473 2/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ CYP1A2 P05177 4/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ GLA P06280 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ PLK1 P53350 1/20 0.35
▸ ERBB2 P04626 1/20 0.34
▸ FYN P06241 1/20 0.34
▸ MAOA P21397 1/20 0.34
▸ ACHE P22303 1/20 0.34

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
SCHEMBL1801990 0.82 ALDH1A1 (0.45) ALDH1A1HPGDKDM4EMAPTHSD17B10
SCHEMBL4236358 0.80 ALDH1A1 (0.41) ALDH1A1HPGDKDM4EMAPTHSD17B10
SCHEMBL1800194 0.73 ALDH1A1 (0.45) ALDH1A1HPGDKDM4EMAPTHSD17B10
SCHEMBL19034219 0.71 ALDH1A1 (0.50) ALDH1A1HPGDKDM4EMAPTHSD17B10
SCHEMBL500318 0.71 ALDH1A1 (0.46) ALDH1A1HPGDKDM4EMAPTHSD17B10
SCHEMBL4601413 0.71 ALDH1A1 (0.47) ALDH1A1HPGDKDM4EMAPTHSD17B10
SCHEMBL23987192 0.70 ALDH1A1 (0.47) ALDH1A1HPGDKDM4EMAPTHSD17B10
SCHEMBL27913426 0.70 ALDH1A1 (0.45) ALDH1A1HPGDKDM4EMAPTHSD17B10
SCHEMBL2400092 0.70 ALDH1A1 (0.50) ALDH1A1HPGDKDM4EMAPTHSD17B10
SCHEMBL29980211 0.70 ALDH1A1 (0.50) ALDH1A1HPGDKDM4EMAPTHSD17B10

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
WO-2013130156-A2 SIGNAL ENHANCEMENT BY SILK PHOTONIC CRYSTALS TUFTS UNIVERSITY (US) 2013-09-06 — — WO disclosed
EP-0537981-B1 Cleavage method for acyl thiohydantoins and use of the method in C-terminal peptide sequencing PERKIN ELMER CORP (US) 1998-06-03 — — EP disclosed
EP-0537981-A2 Cleavage method for acyl thiohydantoins and use of the method in C-terminal peptide sequencing THE PERKIN-ELMER CORPORATION (US) 1993-04-21 — — EP disclosed
US-5185266-A Cleaving an alkylated thiohydantoin adduct from a peptide under anhydrous, acidic conditions and analyzing the side chain of the amino acid APPLIED BIOSYSTEMS, INC. (US) 1993-02-09 — — US disclosed
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