Sugi Predict

Sugi Predict / Compounds / SCHEMBL18901348

SCHEMBL18901348

SCHEMBL18901348

Cc1cc(-c2nc(-c3ccc(CN(C)CC(=O)O)cc3)no2)ccc1-c1ccccc1C(C)(F)F

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 19/20 0.54
▸ S1PR5 Q9H228 5/20 0.46
▸ S1PR3 Q99500 5/20 0.45
▸ HDAC3 O15379 1/20 0.42
▸ HDAC4 P56524 1/20 0.42
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC7 Q8WUI4 1/20 0.42
▸ HDAC2 Q92769 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ HDAC5 Q9UQL6 1/20 0.42

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
SCHEMBL557673 0.94 S1PR1 (0.59) S1PR1S1PR5S1PR3HDAC3HDAC4
SCHEMBL18901343 0.91 S1PR1 (0.52) S1PR1S1PR5S1PR3
SCHEMBL18901347 0.90 S1PR1 (0.48) S1PR1S1PR5S1PR3HDAC3HDAC4
SCHEMBL411239 0.90 S1PR1 (0.55) S1PR1S1PR5S1PR3
SCHEMBL558227 0.89 S1PR1 (0.68) S1PR1S1PR5S1PR3
SCHEMBL18901332 0.88 S1PR1 (0.54) S1PR1S1PR5S1PR3HDAC3HDAC4
SCHEMBL558375 0.86 S1PR1 (0.58) S1PR1S1PR5S1PR3
SCHEMBL409823 0.86 S1PR1 (0.48) S1PR1S1PR5S1PR3HDAC4HDAC1
SCHEMBL406840 0.86 S1PR1 (0.54) S1PR1S1PR5S1PR3
SCHEMBL557759 0.85 S1PR1 (0.57) S1PR1S1PR5S1PR3

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-2414342-B1 OXADIAZOLE DERIVATIVES MERCK SERONO SA (CH) 2017-05-31 — — EP disclosed