SCHEMBL30251377

SCHEMBL30251377

Cc1cccc2c(C=O)c(F)cnc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 2/20 0.41
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ HTR1A P08908 1/20 0.37
▸ ADRA1D P25100 1/20 0.37
▸ ADRA1A P35348 1/20 0.37
▸ ADRA1B P35368 1/20 0.37
▸ PDE4A P27815 1/20 0.35
▸ PDE4B Q07343 1/20 0.35
▸ PDE4C Q08493 1/20 0.35
▸ PDE4D Q08499 1/20 0.35
▸ PDE7A Q13946 1/20 0.35
▸ PDE7B Q9NP56 1/20 0.35
▸ ELANE P08246 2/20 0.35
▸ TRIM24 O15164 1/20 0.35
▸ TRIM33 Q9UPN9 1/20 0.35
▸ ERN1 O75460 1/20 0.35

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
SCHEMBL28910021 1.00 PARP1 (0.41) PARP1MEN1KMT2ANPC1RAB9A
SCHEMBL28910004 0.80 ATP4A (0.42) HTR1AADRA1DADRA1AADRA1BTNKS
SCHEMBL30251277 0.80 ATP4A (0.42) HTR1AADRA1DADRA1AADRA1BTNKS
SCHEMBL23858857 0.73 GAA (0.43) PARP1MEN1KMT2ANPC1RAB9A
SCHEMBL15473176 0.70 HPGDS (0.39) PARP1MEN1KMT2ANPC1RAB9A
SCHEMBL3271795 0.69 ERN1 (0.40) MEN1KMT2APDE4APDE4BPDE4C
SCHEMBL1663012 0.69 ACHE (0.48) MEN1KMT2ASMN1; SMN2TRIM24TRIM33
SCHEMBL31227003 0.69 ACHE (0.48) MEN1KMT2ASMN1; SMN2TRIM24TRIM33
SCHEMBL13271201 0.69 ERN1 (0.55) PARP1MEN1KMT2ANPC1RAB9A
SCHEMBL14596484 0.68 HTR1A (0.56) PARP1MEN1KMT2ANPC1SMN1; SMN2

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
EP-4126860-A1 MONOACYLGLYCEROL LIPASE MODULATORS Janssen Pharmaceutica NV (BE) 2023-02-08 — — EP claimed
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