SCHEMBL7912018

SCHEMBL7912018

CCOC(=O)c1ccc(Nc2nnc(-c3ccc(OC)cc3)c3ccccc23)cc1

nearest known ligand 0.74

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDR P35968 6/20 0.74
MEN1 O00255 1/20 0.74
KMT2A Q03164 1/20 0.74
MAPT P10636 7/20 0.67
RXFP1 Q9HBX9 1/20 0.67
LMNA P02545 1/20 0.67
ALDH1A1 P00352 1/20 0.67
THRB P10828 1/20 0.67
HTT P42858 1/20 0.67
L3MBTL1 Q9Y468 1/20 0.67
TP53 P04637 4/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
ENPP3 O14638 2/20 0.61
EGFR P00533 1/20 0.61
GAA P10253 1/20 0.58
CA2 P00918 1/20 0.56
CA9 Q16790 1/20 0.56
KLK7 P49862 1/20 0.55
KLK14 Q9P0G3 1/20 0.55

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
SCHEMBL15783190 0.91 KDR (0.70) KDRMEN1KMT2AMAPTRXFP1
SCHEMBL7915100 0.90 KDR (0.72) KDRMEN1KMT2AMAPTRXFP1
SCHEMBL7905062 0.90 RXFP1 (0.71) KDRMEN1KMT2AMAPTRXFP1
SCHEMBL15783186 0.86 KDR (0.81) KDRMEN1KMT2AMAPTLMNA
SCHEMBL7911801 0.85 SHMT2 (0.59) KDRMEN1KMT2AMAPTRXFP1
SCHEMBL3028329 0.85 KDR (1.00) KDRMEN1KMT2AMAPTLMNA
SCHEMBL14235459 0.84 KDR (0.78) KDRMEN1KMT2AMAPTLMNA
SCHEMBL7918597 0.82 RXFP1 (0.57) KDRMEN1KMT2AMAPTRXFP1
SCHEMBL15077148 0.82 KDR (0.81) KDRMEN1KMT2AMAPTALDH1A1
SCHEMBL15783189 0.82 KDR (0.75) KDRMEN1KMT2AMAPTLMNA

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-6207666-B1 TREATING PRECANCEROUS LESIONS BY ADMINISTERING 4-PHENYLPHTHALAZINE DERIVATIVE CELL PATHWAYS, INC. 2001-03-27 US disclosed