SCHEMBL7904969

SCHEMBL7904969

CCCOc1cccc(Oc2nnc(-c3ccccc3)c3ccccc23)c1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 5/20 0.58
NPSR1 Q6W5P4 5/20 0.58
LMNA P02545 4/20 0.58
MEN1 O00255 5/20 0.56
KMT2A Q03164 5/20 0.56
MAPT P10636 4/20 0.56
ALDH1A1 P00352 4/20 0.56
TP53 P04637 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
KDM4E B2RXH2 2/20 0.43
GAA P10253 2/20 0.43
TSHR P16473 1/20 0.43
POLB P06746 1/20 0.41

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
SCHEMBL7912079 0.94 MAPT (0.60) HTTNPSR1LMNAMEN1KMT2A
SCHEMBL7915135 0.83 NPSR1 (0.65) HTTNPSR1LMNAMEN1KMT2A
SCHEMBL7913357 0.81 NPSR1 (0.56) HTTNPSR1LMNAMEN1KMT2A
SCHEMBL7913387 0.80 NPSR1 (0.87) HTTNPSR1LMNAMEN1KMT2A
SCHEMBL27965124 0.79 KMT2A (0.79) HTTNPSR1LMNAMEN1KMT2A
SCHEMBL7914758 0.78 NPSR1 (0.61) HTTNPSR1LMNAMEN1KMT2A
SCHEMBL7914915 0.78 HTT (0.61) HTTNPSR1LMNAMEN1KMT2A
SCHEMBL7904890 0.78 NPSR1 (0.61) HTTNPSR1LMNAMEN1KMT2A
SCHEMBL7913320 0.78 NPSR1 (0.61) HTTNPSR1LMNAMEN1KMT2A
SCHEMBL7918489 0.77 MAPT (0.59) HTTNPSR1LMNAMAPTALDH1A1

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