SCHEMBL7981592

SCHEMBL7981592

O=C(Nc1oc(-c2cccc(-c3ccc(Cl)cc3)c2O)nc1-c1cccs1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADCY1 Q08828 1/20 0.45
GABRD O14764 6/20 0.45
GABRB1 P18505 6/20 0.45
GABRA4 P48169 6/20 0.45
MAPT P10636 5/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
HTT P42858 3/20 0.44
LMNA P02545 3/20 0.44
F2 P00734 1/20 0.44
GAA P10253 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPK1 P28482 2/20 0.43
ALOX15 P16050 1/20 0.43
HSD17B10 Q99714 1/20 0.43
GFER P55789 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40

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
SCHEMBL7979634 0.91 MEN1 (0.45) ADCY1GABRDGABRB1GABRA4MAPT
SCHEMBL7982881 0.88 ADCY1 (0.50) ADCY1MAPTMEN1KMT2ALMNA
SCHEMBL7969458 0.86 KDR (0.46) MAPTMEN1KMT2ALMNAGAA
SCHEMBL7744781 0.81 ADCY1 (0.47) ADCY1MAPTMEN1KMT2AHTT
SCHEMBL7980770 0.79 KDR (0.46) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL7981622 0.78 KDR (0.44) GABRDGABRB1GABRA4MAPTMEN1
SCHEMBL7986674 0.78 KDR (0.45) MAPTMEN1KMT2AALDH1A1MAPK1
SCHEMBL7986016 0.77 KDR (0.46) MAPTMEN1KMT2AHTTLMNA
SCHEMBL7979899 0.77 KDR (0.52) MAPTMEN1KMT2AGAAALDH1A1
SCHEMBL7986529 0.77 KDR (0.44) ADCY1MAPTMEN1KMT2AHTT

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
US-6228871-B1 THIAZOLE OR OXAZOLE DERIVATIVE TYROSINE KINASE INHIBITORS; ANTICARCINOGENIC AGENTS; AUTOIMMUNE DISEASES; DIABETIC RETINOPATHY MERCK & CO., INC. 2001-05-08 US claimed