SCHEMBL7918628

SCHEMBL7918628

COc1ccc(-c2nnc(Nc3ccccc3)c3ccccc23)cc1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.81
LMNA P02545 1/20 0.81
KDR P35968 5/20 0.72
MEN1 O00255 1/20 0.72
KMT2A Q03164 1/20 0.72
ENPP3 O14638 1/20 0.72
NPSR1 Q6W5P4 1/20 0.68
ALDH1A1 P00352 2/20 0.67
THRB P10828 1/20 0.67
HTT P42858 1/20 0.67
L3MBTL1 Q9Y468 1/20 0.67
TP53 P04637 2/20 0.63
GAA P10253 2/20 0.61
KDM4E B2RXH2 2/20 0.58
USP2 O75604 1/20 0.58
POLB P06746 1/20 0.58
PPARG P37231 1/20 0.58
RECQL P46063 1/20 0.58
BLM P54132 1/20 0.58
NCOA2 Q15596 1/20 0.58

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
SCHEMBL3021512 0.94 MAPT (0.81) MAPTLMNAKDRMEN1KMT2A
SCHEMBL3024303 0.89 MAPT (1.00) MAPTLMNAKDRMEN1KMT2A
SCHEMBL2211831 0.89 MAPT (1.00) MAPTLMNAKDRMEN1KMT2A
Hydrochloric Acid SCHEMBL1396134 0.88 MAPT (0.97) MAPTLMNAKDRMEN1KMT2A
SCHEMBL15783186 0.88 KDR (0.81) MAPTLMNAKDRMEN1KMT2A
SCHEMBL7912095 0.87 MAPT (0.62) MAPTLMNAKDRMEN1KMT2A
SCHEMBL7914883 0.87 MAPT (0.62) MAPTLMNAKDRMEN1KMT2A
SCHEMBL15783189 0.86 KDR (0.75) MAPTLMNAKDRMEN1KMT2A
SCHEMBL26115298 0.86 MAPT (0.77) MAPTLMNAKDRMEN1KMT2A
SCHEMBL7918387 0.86 MAPT (0.75) 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