SCHEMBL25058853

SCHEMBL25058853

CN1c2ccccc2C(=C(C#N)C(N)=O)c2ccccc21

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.60
▸ ALDH1A1 P00352 6/20 0.60
▸ KMT2A Q03164 6/20 0.44
▸ MEN1 O00255 4/20 0.44
▸ POLB P06746 2/20 0.44
▸ PKM P14618 3/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ GAA P10253 1/20 0.42
▸ RAB9A P51151 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.41
▸ RECQL P46063 2/20 0.40
▸ ATM Q13315 2/20 0.40
▸ THRB P10828 1/20 0.40
▸ TTR P02766 1/20 0.40
▸ CES1 P23141 1/20 0.40

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
SCHEMBL30194813 1.00 MAPT (0.60) MAPTALDH1A1KMT2AMEN1POLB
SCHEMBL25058852 0.87 ALDH1A1 (0.47) MAPTALDH1A1KMT2AMEN1POLB
SCHEMBL22613516 0.79 MAPT (0.44) MAPTALDH1A1KMT2AMEN1POLB
SCHEMBL29561939 0.78 MAPT (0.43) MAPTALDH1A1KMT2AMEN1POLB
SCHEMBL21315440 0.78 MAPT (0.43) MAPTALDH1A1KMT2AMEN1POLB
SCHEMBL13296055 0.78 ALDH1A1 (0.58) MAPTALDH1A1KMT2AMEN1POLB
SCHEMBL25058843 0.77 MAPT (0.46) MAPTALDH1A1KMT2AMEN1PKM
SCHEMBL23053040 0.75 ALDH1A1 (0.48) MAPTALDH1A1KMT2AMEN1POLB
SCHEMBL25058842 0.75 IDO1 (0.54) MAPTALDH1A1KMT2AMEN1POLB
SCHEMBL11980490 0.74 IDO1 (0.55) MAPTALDH1A1KMT2AMEN1POLB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4219632-A2 POLYMERIZABLE ABSORBERS OF UV AND HIGH ENERGY VISIBLE LIGHT Johnson & Johnson Vision Care, Inc. (US) 2023-08-02 — — EP disclosed
EP-3759171-B9 AN OPHTHALMIC DEVICE COMPRISING POLYMERIZABLE ABSORBERS OF UV AND HIGH ENERGY VISIBLE LIGHT JOHNSON & JOHNSON VISION CARE (US) 2023-05-24 — — EP disclosed
EP-3759171-B1 AN OPHTHALMIC DEVICE COMPRISING POLYMERIZABLE ABSORBERS OF UV AND HIGH ENERGY VISIBLE LIGHT JOHNSON & JOHNSON VISION CARE (US) 2023-02-22 — — EP disclosed
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