SCHEMBL15310028

SCHEMBL15310028

O=C(O)[C@@H]1CCCN1C(=O)COc1ccc(-c2nc3cnc(Oc4ccccc4F)nc3o2)cc1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 12/20 0.40
KMT2A Q03164 1/20 0.40
ITGB2 P05107 1/20 0.37
ICAM1 P05362 1/20 0.37
ITGAL P20701 1/20 0.37
S1PR3 Q99500 4/20 0.37
CPT1A P50416 2/20 0.37
CPT2 P23786 1/20 0.36

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
SCHEMBL15309858 0.92 KMT2A (0.42) S1PR1KMT2ACPT1ACPT2
SCHEMBL15310209 0.91 S1PR1 (0.39) S1PR1S1PR3CPT1ACPT2
SCHEMBL2223287 0.90 KMT2A (0.44) S1PR1KMT2ACPT1A
SCHEMBL14777954 0.90 KMT2A (0.44) S1PR1KMT2ACPT1A
SCHEMBL2223315 0.88 GYS1 (0.44) KMT2ACPT1ACPT2
SCHEMBL14777269 0.88 GYS1 (0.44) KMT2ACPT1ACPT2
SCHEMBL15310299 0.87 S1PR1 (0.47) S1PR1S1PR3
SCHEMBL15310300 0.85 HPGD (0.41) S1PR1S1PR3
SCHEMBL14777535 0.85 S1PR1 (0.51) S1PR1KMT2ACPT1ACPT2
SCHEMBL2224648 0.85 S1PR1 (0.51) S1PR1KMT2ACPT1ACPT2

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-2523960-B1 HETEROCYCLIC CARBOXYLIC ACID DERIVATIVES HAVING A 2,5-SUBSTITUTED OXAZOLOPYRIMIDINE RING SANOFI SA (FR) 2013-10-16 EP disclosed