SCHEMBL7914903

SCHEMBL7914903

COc1cc2c(Nc3ccccc3)nnc(-c3ccc(F)cc3)c2cc1OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 5/20 0.53
NPSR1 Q6W5P4 1/20 0.50
MAPT P10636 5/20 0.49
LMNA P02545 2/20 0.49
EGFR P00533 4/20 0.49
ENPP3 O14638 2/20 0.48
RET P07949 1/20 0.48
KDR P35968 1/20 0.48
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
NTSR1 P30989 1/20 0.47
KMT2A Q03164 1/20 0.47
GPR55 Q9Y2T6 1/20 0.47
ABCB1 P08183 2/20 0.47
LCK P06239 1/20 0.47
TP53 P04637 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ABCC1 P33527 1/20 0.46
POLB P06746 2/20 0.46
PRNP P04156 1/20 0.46

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
SCHEMBL7914879 0.91 EGFR (0.53) ABCG2NPSR1MAPTLMNAEGFR
SCHEMBL7915059 0.89 NPSR1 (0.52) ABCG2NPSR1MAPTLMNAEGFR
SCHEMBL7912095 0.89 MAPT (0.62) ABCG2NPSR1MAPTLMNAEGFR
SCHEMBL7904917 0.86 ENPP3 (0.57) NPSR1MAPTLMNAENPP3KDR
SCHEMBL7914983 0.83 NPSR1 (0.53) NPSR1MAPTENPP3KDRKDM4E
SCHEMBL7914924 0.81 NPSR1 (0.73) NPSR1MAPTLMNAENPP3KDR
SCHEMBL7913392 0.80 ABCG2 (0.58) ABCG2MAPTLMNAEGFRKDR
SCHEMBL7918597 0.79 RXFP1 (0.57) NPSR1MAPTEGFRKDRKDM4E
SCHEMBL7914883 0.79 MAPT (0.62) NPSR1MAPTLMNAENPP3KDR
SCHEMBL7914832 0.78 MAPT (0.61) NPSR1MAPTLMNAENPP3KDR

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