SCHEMBL7905063

SCHEMBL7905063

CCOC(=O)c1ccc(-c2nnc(Nc3ccccc3)c3cc(C)c(C)cc23)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.60
TP53 P04637 7/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
KDR P35968 5/20 0.54
EGFR P00533 1/20 0.54
MAPT P10636 7/20 0.53
POLB P06746 2/20 0.53
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
GAA P10253 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
HPGD P15428 1/20 0.52
CYP2C19 P33261 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
NPC1 O15118 1/20 0.49

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
SCHEMBL7904939 0.92 RXFP1 (0.58) RXFP1TP53SMN1; SMN2KDREGFR
SCHEMBL7904915 0.91 RXFP1 (0.57) RXFP1TP53SMN1; SMN2KDREGFR
SCHEMBL7918597 0.91 RXFP1 (0.57) RXFP1TP53SMN1; SMN2KDREGFR
SCHEMBL7905062 0.90 RXFP1 (0.71) RXFP1TP53SMN1; SMN2KDREGFR
SCHEMBL7915100 0.83 KDR (0.72) RXFP1KDREGFRMAPTPOLB
SCHEMBL7914860 0.81 KDR (0.71) RXFP1TP53SMN1; SMN2KDRMAPT
SCHEMBL7912018 0.81 KDR (0.74) RXFP1TP53SMN1; SMN2KDREGFR
SCHEMBL7912315 0.81 NPSR1 (0.56) TP53SMN1; SMN2KDRMAPTKDM4E
SCHEMBL8011266 0.80 MAPT (0.68) RXFP1TP53SMN1; SMN2KDRMAPT
SCHEMBL7912137 0.80 NPSR1 (0.56) TP53SMN1; SMN2KDRMAPTPOLB

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