SCHEMBL7912202

SCHEMBL7912202

COc1ccc(Cl)cc1Nc1nnc(-c2ccccc2)c2cc(OC)c(OC)cc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT1 P17948 2/20 0.49
MAPT P10636 3/20 0.48
KDM4E B2RXH2 2/20 0.48
PDE5A O76074 1/20 0.48
ALDH1A1 P00352 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
HPGD P15428 1/20 0.48
ALOX15 P16050 1/20 0.48
CYP2C19 P33261 1/20 0.48
PDE1A P54750 1/20 0.48
PDE1B Q01064 1/20 0.48
PDE3B Q13370 1/20 0.48
PDE1C Q14123 1/20 0.48
PDE3A Q14432 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HSD17B10 Q99714 1/20 0.48
MEN1 O00255 6/20 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
SCHEMBL7913398 0.87 KDR (0.56) MAPTKDM4EPDE5AALDH1A1CYP1A2
SCHEMBL7914954 0.84 MAPT (0.57) MAPTKDM4EPDE5AALDH1A1CYP1A2
SCHEMBL7914896 0.84 MAPT (0.58) MAPTKDM4EPDE5AALDH1A1CYP1A2
SCHEMBL7918641 0.83 MAPT (0.45) FLT1MAPTALDH1A1HPGDMEN1
SCHEMBL7914621 0.83 KDR (0.49) FLT1MAPTKDM4EPDE5AALDH1A1
SCHEMBL7904812 0.82 KDR (0.59) MAPTKDM4EPDE5AALDH1A1CYP1A2
SCHEMBL7914879 0.81 EGFR (0.53) MAPTKDM4EPDE5AALDH1A1CYP1A2
SCHEMBL7904971 0.81 KDR (0.58) MAPTKDM4EPDE5AALDH1A1CYP1A2
SCHEMBL7905044 0.79 MAPT (0.55) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL7918610 0.78 MEN1 (0.56) MAPTKDM4EALDH1A1HPGDMEN1

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