SCHEMBL7913342

SCHEMBL7913342

Clc1ccc(Cl)c(Nc2nnc(-c3ccccc3)c3ccccc23)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.65
ALDH1A1 P00352 2/20 0.65
HPGD P15428 2/20 0.65
SMN1; SMN2 Q16637 2/20 0.65
KDM4E B2RXH2 1/20 0.65
PDE5A O76074 1/20 0.65
CYP1A2 P05177 1/20 0.65
CYP3A4 P08684 1/20 0.65
CYP2D6 P10635 1/20 0.65
CYP2C9 P11712 1/20 0.65
ALOX15 P16050 1/20 0.65
CYP2C19 P33261 1/20 0.65
PDE1A P54750 1/20 0.65
PDE1B Q01064 1/20 0.65
PDE3B Q13370 1/20 0.65
PDE1C Q14123 1/20 0.65
PDE3A Q14432 1/20 0.65
HSD17B10 Q99714 1/20 0.65
NPSR1 Q6W5P4 2/20 0.54
KMT2A Q03164 1/20 0.54

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
SCHEMBL7914733 0.85 MAPT (0.59) MAPTALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL7915165 0.80 ALDH1A1 (0.72) MAPTALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL1752920 0.79 MAPT (1.00) MAPTALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL29478480 0.79 MAPT (1.00) MAPTALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL8011274 0.79 ALDH1A1 (0.59) MAPTALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL7918624 0.79 KDR (0.72) MAPTALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL29478484 0.79 MAPT (1.00) MAPTALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL8025428 0.78 ALDH1A1 (0.79) MAPTALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL7913398 0.78 KDR (0.56) MAPTALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL8025371 0.77 MAPT (0.63) MAPTALDH1A1HPGDSMN1; SMN2KDM4E

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