SCHEMBL21235192

SCHEMBL21235192

CC1NCC1NC(=O)c1cc2cc(Cl)c(F)c(F)c2[nH]1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PYGL P06737 8/20 0.39
▸ PYGM P11217 2/20 0.37
▸ HRH4 Q9H3N8 3/20 0.35
▸ EHMT2 Q96KQ7 1/20 0.35
▸ DRD4 P21917 1/20 0.34
▸ SYK P43405 2/20 0.33
▸ MLLT1 Q03111 1/20 0.33
▸ SMYD3 Q9H7B4 1/20 0.33
▸ TAS1R3 Q7RTX0 1/20 0.33
▸ TAS1R1 Q7RTX1 1/20 0.33
▸ TAS1R2 Q8TE23 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ RXFP1 Q9HBX9 1/20 0.32
▸ F10 P00742 1/20 0.32

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
SCHEMBL21225625 1.00 PYGL (0.39) PYGLPYGMHRH4EHMT2DRD4
SCHEMBL21225386 1.00 PYGL (0.39) PYGLPYGMHRH4EHMT2DRD4
SCHEMBL25532234 0.91 PYGL (0.38) PYGLPYGMHRH4EHMT2DRD4
SCHEMBL25531407 0.90 PYGL (0.38) PYGLPYGMHRH4EHMT2DRD4
SCHEMBL25531409 0.90 PYGL (0.38) PYGLPYGMHRH4EHMT2DRD4
SCHEMBL25532231 0.90 PYGL (0.38) PYGLPYGMHRH4EHMT2DRD4
SCHEMBL21225298 0.86 PYGL (0.39) PYGLPYGMHRH4EHMT2DRD4
SCHEMBL21225563 0.86 PYGL (0.39) PYGLPYGMHRH4EHMT2DRD4
SCHEMBL21225314 0.86 PYGL (0.39) PYGLPYGMHRH4EHMT2DRD4
SCHEMBL21225322 0.86 PYGL (0.39) PYGLPYGMHRH4EHMT2DRD4

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-2019152883-A1 INHIBITORS OF PROTEIN ARGININE DEIMINASES PADFORWARD LLC (US) 2019-08-08 — — WO disclosed
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