SCHEMBL7905062

SCHEMBL7905062

CCOC(=O)c1ccc(-c2nnc(Nc3ccccc3)c3ccccc23)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.71
KDR P35968 8/20 0.65
TP53 P04637 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
EGFR P00533 1/20 0.60
NPSR1 Q6W5P4 3/20 0.60
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
ALDH1A1 P00352 2/20 0.57
POLB P06746 2/20 0.57
KDM4E B2RXH2 2/20 0.57
KLK7 P49862 1/20 0.57
KLK14 Q9P0G3 1/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
GAA P10253 1/20 0.57
CYP2D6 P10635 1/20 0.57
MAPT P10636 1/20 0.57
CYP2C9 P11712 1/20 0.57
HPGD P15428 1/20 0.57

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
SCHEMBL7915100 0.93 KDR (0.72) RXFP1KDREGFRNPSR1MEN1
SCHEMBL7912018 0.90 KDR (0.74) RXFP1KDRTP53SMN1; SMN2EGFR
SCHEMBL7905063 0.90 RXFP1 (0.60) RXFP1KDRTP53SMN1; SMN2EGFR
SCHEMBL7914860 0.88 KDR (0.71) RXFP1KDRTP53SMN1; SMN2NPSR1
SCHEMBL7904939 0.88 RXFP1 (0.58) RXFP1KDRTP53SMN1; SMN2EGFR
SCHEMBL8011266 0.88 MAPT (0.68) RXFP1KDRTP53SMN1; SMN2NPSR1
SCHEMBL7918597 0.87 RXFP1 (0.57) RXFP1KDRTP53SMN1; SMN2EGFR
SCHEMBL7912189 0.87 KDR (0.62) RXFP1KDRTP53NPSR1MAPT
SCHEMBL7912171 0.83 KDR (0.62) RXFP1KDRTP53EGFRNPSR1
SCHEMBL7912029 0.82 NPSR1 (0.72) KDRNPSR1MEN1KMT2AALDH1A1

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