SCHEMBL3235283

SCHEMBL3235283

Cc1cc(O)ccc1Nc1cc(C(=O)Nc2ccccc2)ncn1

nearest known ligand 0.79

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 15/20 0.79
S1PR5 Q9H228 1/20 0.57
TNIK Q9UKE5 1/20 0.46
KMO O15229 1/20 0.46
EGFR P00533 1/20 0.44

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
SCHEMBL2880368 0.88 S1PR1 (1.00) S1PR1S1PR5
SCHEMBL3229139 0.84 S1PR1 (0.72) S1PR1KMOEGFR
SCHEMBL13216688 0.82 S1PR1 (0.84) S1PR1
SCHEMBL3226154 0.82 S1PR1 (0.61) S1PR1KMOEGFR
SCHEMBL3226915 0.79 S1PR1 (0.61) S1PR1KMOEGFR
SCHEMBL3227055 0.76 S1PR1 (0.58) S1PR1KMOEGFR
SCHEMBL3221150 0.76 S1PR1 (0.58) S1PR1KMOEGFR
SCHEMBL3228067 0.75 EGFR (0.58) S1PR1KMOEGFR
SCHEMBL3227236 0.75 S1PR1 (0.57) S1PR1KMOEGFR
SCHEMBL3024966 0.75 S1PR1 (0.61) S1PR1S1PR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010020432-A8 COMPOUNDS FOR TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY BIOMARIN IGA LIMITED (BS) 2010-03-11 WO claimed
WO-2010020432-A2 COMPOUNDS FOR TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY SUMMIT CORPORATION PLC (GB) 2010-02-25 WO claimed