SCHEMBL7914832

SCHEMBL7914832

COc1ccc(-c2nnc(Nc3ccccc3)c3cc(Cl)c(Cl)cc23)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.61
LMNA P02545 1/20 0.61
KDR P35968 5/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
ENPP3 O14638 1/20 0.56
ALDH1A1 P00352 2/20 0.53
THRB P10828 1/20 0.53
HTT P42858 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
TP53 P04637 2/20 0.52
KDM4E B2RXH2 1/20 0.50
PDE5A O76074 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
HPGD P15428 1/20 0.50
ALOX15 P16050 1/20 0.50
CYP2C19 P33261 1/20 0.50

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
SCHEMBL7912095 0.89 MAPT (0.62) MAPTLMNAKDRMEN1KMT2A
SCHEMBL7914883 0.89 MAPT (0.62) MAPTLMNAKDRMEN1KMT2A
SCHEMBL7904933 0.87 MAPT (0.63) MAPTLMNAKDRENPP3ALDH1A1
SCHEMBL7913307 0.86 NPSR1 (0.53) MAPTKDRKMT2AENPP3ALDH1A1
SCHEMBL7918628 0.85 MAPT (0.81) MAPTLMNAKDRMEN1KMT2A
SCHEMBL7918376 0.83 KDR (0.44) MAPTLMNAKDRMEN1KMT2A
SCHEMBL7914983 0.83 NPSR1 (0.53) MAPTKDRMEN1KMT2AENPP3
SCHEMBL7904976 0.81 MAPT (0.58) MAPTLMNAKDRMEN1KMT2A
SCHEMBL7918387 0.81 MAPT (0.75) MAPTLMNAKDRMEN1KMT2A
SCHEMBL7914879 0.80 EGFR (0.53) MAPTLMNAKDRMEN1KMT2A

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