SCHEMBL30714871

SCHEMBL30714871

Oc1ccc2ccccc2c1C=NNc1nc2ccccc2s1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 16/20 0.59
▸ KMT2A Q03164 15/20 0.59
▸ MEN1 O00255 14/20 0.59
▸ SMN1; SMN2 Q16637 10/20 0.59
▸ KDM4E B2RXH2 8/20 0.59
▸ HTT P42858 4/20 0.59
▸ HPGD P15428 4/20 0.59
▸ L3MBTL1 Q9Y468 4/20 0.59
▸ ALDH1A1 P00352 3/20 0.59
▸ LMNA P02545 7/20 0.57
▸ GAA P10253 11/20 0.56
▸ RAB9A P51151 10/20 0.56
▸ TDP1 Q9NUW8 3/20 0.55
▸ ALPI P09923 1/20 0.55
▸ ALPG P10696 1/20 0.55
▸ NPC1 O15118 9/20 0.54
▸ CYP1A2 P05177 2/20 0.54
▸ CYP2D6 P10635 2/20 0.54
▸ CYP2C19 P33261 2/20 0.54
▸ CYP3A4 P08684 1/20 0.54

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
SCHEMBL29418955 1.00 MAPT (0.59) MAPTKMT2AMEN1SMN1; SMN2KDM4E
SCHEMBL1164673 0.81 MBD2 (0.65) MAPTKMT2AMEN1SMN1; SMN2KDM4E
SCHEMBL1164671 0.81 MBD2 (0.65) MAPTKMT2AMEN1SMN1; SMN2KDM4E
SCHEMBL15494570 0.78 MAPT (0.61) MAPTKMT2AMEN1SMN1; SMN2KDM4E
SCHEMBL13779288 0.78 MAPT (0.75) MAPTKMT2AMEN1SMN1; SMN2KDM4E
SCHEMBL15965635 0.77 MAPT (0.60) MAPTKMT2AMEN1SMN1; SMN2KDM4E
SCHEMBL19437097 0.76 MAPT (0.58) MAPTKMT2AMEN1SMN1; SMN2KDM4E
SCHEMBL1165591 0.76 MAPT (0.68) MAPTKMT2AMEN1SMN1; SMN2KDM4E
SCHEMBL1165592 0.76 MAPT (0.68) MAPTKMT2AMEN1SMN1; SMN2KDM4E
SCHEMBL1132582 0.75 MAPT (0.58) MAPTKMT2AMEN1SMN1; SMN2KDM4E

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-2023242454-A1 HYBRID MATERIAL FOR DETECTING ACID AND BASE VAPOURS UNIVERSIDAD DE CASTILLA LA MANCHA (ES) 2023-12-21 — — WO disclosed
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