SCHEMBL27980329

SCHEMBL27980329

O=C(NCc1ccccc1F)NC1c2ccccc2-c2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PPIA P62937 13/20 1.00
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ RIPK1 Q13546 1/20 0.46
▸ MAPT P10636 1/20 0.46

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
SCHEMBL28813810 0.83 PPIA (1.00) PPIAMAPT
SCHEMBL29273709 0.76 MAPT (0.65) PPIAMEN1KMT2AMAPT
SCHEMBL27980471 0.76 PPIA (0.65) PPIAMEN1KMT2AMAPT
SCHEMBL27980140 0.75 PPIA (1.00) PPIAKMT2AMAPT
SCHEMBL13480594 0.75 PPIA (0.61) PPIAMEN1KMT2AMAPT
SCHEMBL8337914 0.73 RIPK1 (0.58) PPIAMEN1KMT2ARIPK1MAPT
SCHEMBL8670897 0.73 PPIA (0.58) PPIAMEN1KMT2AMAPT
SCHEMBL27817523 0.72 PPIA (1.00) PPIA
SCHEMBL27980205 0.72 PPIA (0.76) PPIAMAPT
SCHEMBL10172935 0.72 RIPK1 (0.60) PPIAMEN1KMT2ARIPK1MAPT

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
CN-103992245-A Substituted urea compound and use thereof UNIV EAST CHINA SCIENCE & TECH 2014-08-20 — — CN disclosed
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