SCHEMBL7915059

SCHEMBL7915059

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.52
LMNA P02545 2/20 0.52
ALDH1A1 P00352 2/20 0.52
HPGD P15428 2/20 0.52
KDM4E B2RXH2 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
ENPP3 O14638 3/20 0.51
KDR P35968 2/20 0.51
MAPT P10636 5/20 0.50
POLB P06746 3/20 0.49
PRNP P04156 1/20 0.49
RECQL P46063 1/20 0.49
EGFR P00533 2/20 0.49
RET P07949 1/20 0.49
GFER P55789 1/20 0.48
TP53 P04637 1/20 0.48
THRB P10828 1/20 0.48
ABCG2 Q9UNQ0 1/20 0.48
LCK P06239 1/20 0.48
GPR174 Q9BXC1 1/20 0.47

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 0.92 EGFR (0.53) NPSR1LMNAALDH1A1HPGDKDM4E
SCHEMBL7912095 0.90 MAPT (0.62) NPSR1LMNAALDH1A1HPGDENPP3
SCHEMBL7914903 0.89 ABCG2 (0.53) NPSR1LMNAALDH1A1KDM4ESMN1; SMN2
SCHEMBL7914922 0.87 MAPT (0.58) NPSR1LMNAALDH1A1HPGDKDM4E
SCHEMBL7912137 0.87 NPSR1 (0.56) NPSR1ALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL7913307 0.84 NPSR1 (0.53) NPSR1ALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL7918597 0.82 RXFP1 (0.57) NPSR1ALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL7905029 0.82 NPSR1 (0.73) NPSR1LMNAALDH1A1HPGDKDM4E
SCHEMBL7914883 0.82 MAPT (0.62) NPSR1LMNAALDH1A1KDM4ESMN1; SMN2
SCHEMBL7912149 0.81 THRB (0.50) NPSR1LMNAALDH1A1HPGDKDM4E

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