SCHEMBL7913348

SCHEMBL7913348

Cc1ccc(-c2nnc(Nc3cccc(Br)c3)c3ccccc23)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 4/20 0.69
MAPT P10636 8/20 0.60
HPGD P15428 3/20 0.60
POLB P06746 1/20 0.60
HTT P42858 1/20 0.60
KMT2A Q03164 1/20 0.60
NPSR1 Q6W5P4 4/20 0.60
ALDH1A1 P00352 2/20 0.58
KDM4E B2RXH2 1/20 0.57
PDE5A O76074 1/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
ALOX15 P16050 1/20 0.57
CYP2C19 P33261 1/20 0.57
PDE1A P54750 1/20 0.57
PDE1B Q01064 1/20 0.57
PDE3B Q13370 1/20 0.57
PDE1C Q14123 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
SCHEMBL7912141 0.89 KDR (0.72) KDRMAPTHPGDNPSR1ALDH1A1
SCHEMBL7905029 0.85 NPSR1 (0.73) KDRMAPTHPGDPOLBHTT
SCHEMBL7912100 0.85 MAPT (0.81) KDRMAPTHPGDPOLBHTT
SCHEMBL26115285 0.85 MAPT (0.83) KDRMAPTHPGDPOLBHTT
SCHEMBL7914880 0.85 MAPT (0.60) KDRMAPTHPGDPOLBHTT
SCHEMBL7918566 0.83 ENPP3 (0.76) KDRMAPTHPGDPOLBHTT
SCHEMBL788164 0.83 KDR (0.81) KDRMAPTHPGDPOLBHTT
SCHEMBL788057 0.83 KDR (0.77) KDRMAPTPOLBHTTKMT2A
SCHEMBL7918584 0.82 CA1 (0.62) KDRMAPTHPGDPOLBHTT
SCHEMBL7905464 0.81 MAPT (0.63) KDRMAPTHPGDPOLBHTT

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