SCHEMBL7913341

SCHEMBL7913341

CCCCc1ccc(Nc2nnc(-c3ccc(C)cc3)c3ccccc23)cc1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 5/20 0.67
ENPP3 O14638 3/20 0.60
KDR P35968 1/20 0.60
GAA P10253 2/20 0.55
THRB P10828 3/20 0.55
KDM4E B2RXH2 1/20 0.55
HTT P42858 4/20 0.55
ALDH1A1 P00352 3/20 0.54
HPGD P15428 2/20 0.54
TP53 P04637 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.53
MAPT P10636 6/20 0.53
POLB P06746 2/20 0.52
KMT2A Q03164 1/20 0.52
LMNA P02545 2/20 0.51
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48

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
SCHEMBL7914864 0.91 NPSR1 (0.61) NPSR1ENPP3KDRGAATHRB
SCHEMBL7915171 0.91 NPSR1 (0.61) NPSR1ENPP3KDRGAATHRB
SCHEMBL7913368 0.87 MAPT (0.68) NPSR1ENPP3KDRGAATHRB
SCHEMBL7918607 0.87 NPSR1 (0.51) NPSR1ENPP3KDRGAATHRB
SCHEMBL7918566 0.86 ENPP3 (0.76) NPSR1ENPP3KDRGAATHRB
SCHEMBL7918523 0.85 MAPT (0.61) NPSR1ENPP3KDRGAATHRB
SCHEMBL7918550 0.84 THRB (0.58) NPSR1ENPP3KDRGAATHRB
SCHEMBL7918655 0.82 MAPT (0.69) NPSR1KDRGAAKDM4EALDH1A1
SCHEMBL7904940 0.82 ENPP3 (0.70) NPSR1ENPP3KDRGAATHRB
SCHEMBL7905029 0.82 NPSR1 (0.73) NPSR1ENPP3KDRGAATHRB

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