SCHEMBL20715919

SCHEMBL20715919

CNc1nc(-c2ccc(C(C)(C)C)cc2)c(-c2ccc(OC)cc2)s1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.81
ALDH1A1 P00352 5/20 0.81
KDM4E B2RXH2 4/20 0.81
GAA P10253 3/20 0.56
LMNA P02545 3/20 0.56
RECQL P46063 2/20 0.55
HTT P42858 1/20 0.55
PTGS2 P35354 4/20 0.53
KMT2A Q03164 4/20 0.52
MEN1 O00255 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
THRB P10828 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
ACHE P22303 3/20 0.47
USP2 O75604 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
PPARD Q03181 1/20 0.45

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
SCHEMBL20716034 0.77 KDM1A (0.49) MAPTALDH1A1KDM4EKMT2AMEN1
SCHEMBL6546517 0.76 MAPT (0.72) MAPTALDH1A1KDM4EGAALMNA
SCHEMBL20716075 0.76 ALDH1A1 (0.44) MAPTALDH1A1KDM4ELMNAHTT
SCHEMBL25804366 0.76 ALDH1A1 (0.72) MAPTALDH1A1KDM4EGAALMNA
SCHEMBL20716031 0.75 ALDH1A1 (0.46) MAPTALDH1A1KDM4EPTGS2KMT2A
SCHEMBL20703324 0.74 MAPT (0.65) MAPTALDH1A1KDM4EGAALMNA
SCHEMBL20716011 0.74 MAPT (0.45) MAPTALDH1A1KDM4EHTTPTGS2
SCHEMBL9547985 0.73 MAPT (0.68) MAPTALDH1A1KDM4EGAALMNA
SCHEMBL9548090 0.73 MAPT (0.68) MAPTALDH1A1KDM4EGAALMNA
SCHEMBL8068531 0.73 ALDH1A1 (0.68) MAPTALDH1A1KDM4EGAALMNA

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
WO-2019028104-A1 NOVEL COMPOUND AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME ALPHALA CO., LTD. (TW) 2019-02-07 WO disclosed