SCHEMBL10099709

SCHEMBL10099709

SC1=Nc2ccccc2C2CC=NN12

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 10/20 0.43
▸ GAA P10253 6/20 0.43
▸ KDM4E B2RXH2 4/20 0.43
▸ HTT P42858 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ USP2 O75604 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.40
▸ LMNA P02545 2/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40
▸ HPGD P15428 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.37
▸ NOS1 P29475 5/20 0.33
▸ NOS3 P29474 3/20 0.33
▸ NOS2 P35228 3/20 0.33
▸ RIPK1 Q13546 3/20 0.33

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
SCHEMBL10099718 0.73 TERT (0.48) MAPTHTTALDH1A1NOS1NOS3
SCHEMBL11769838 0.68 ALDH1A1 (0.47) MAPTGAAKDM4EHTTKMT2A
SCHEMBL1520855 0.66 TSHR (0.38) MAPTGAAKDM4EHTTKMT2A
SCHEMBL3233672 0.58 TERT (0.39) ALDH1A1RIPK1
SCHEMBL12951316 0.57 CHRNA7 (0.42) ALDH1A1NOS1NOS3NOS2
SCHEMBL9383590 0.55 RIPK1 (0.51) KMT2AALDH1A1POLBRIPK1
SCHEMBL5903097 0.55 CA12 (0.41) MAPTGAAKDM4EKMT2AALDH1A1
SCHEMBL28936925 0.55 MEN1 (0.38) MAPTGAAKMT2AALDH1A1HPGD
SCHEMBL28953414 0.55 RIPK1 (0.33) MAPTKDM4EKMT2AALDH1A1POLB
SCHEMBL9380053 0.55 RIPK1 (0.53) ALDH1A1RIPK1

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-2012007006-A1 TRIAZOLO- AND PYRAZOLOQUINAZOLINE DERIVATIVES AS PDE10A ENZYME INHIBITOR H. LUNDBECK A/S (DK) 2012-01-19 — — WO disclosed
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