SCHEMBL2855351

SCHEMBL2855351

O=C1OC(Oc2ccccc2)NN1c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.40
GRM2 Q14416 8/20 0.39
CTSV O60911 1/20 0.39
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
CTSH P09668 1/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
CTSC P53634 1/20 0.39
CTSF Q9UBX1 1/20 0.39
NTRK1 P04629 1/20 0.37
IGF1R P08069 1/20 0.37
FGFR1 P11362 1/20 0.37
NTRK3 Q16288 1/20 0.37
NTRK2 Q16620 1/20 0.37
MAOA P21397 1/20 0.37
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
GAA P10253 1/20 0.34
DDB1 Q16531 1/20 0.34

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
SCHEMBL11620783 0.81 MAOA (0.41) GRM2MAOAGAAMAPT
SCHEMBL2233789 0.78 MAOA (0.38) GRM2MAOAGAAMAPT
SCHEMBL2233413 0.66 NPBWR1 (0.36) ALOX5GRM2GAA
SCHEMBL2236268 0.60 MGLL (0.45) MAPTLMNA
SCHEMBL24776903 0.60 MGLL (0.44) MAOAGAADDB1CRBNLMNA
SCHEMBL9230106 0.60 CTSV (0.46) ALOX5GRM2CTSVCTSLCTSB
SCHEMBL7065588 0.58 ALOX5 (0.42) ALOX5MAOAGAAMAPTLMNA
SCHEMBL8097128 0.58 GAA (0.42) ALOX5GAADDB1CRBNMAPT
SCHEMBL7798882 0.58 GAA (0.42) ALOX5MAOAGAAMAPTLMNA
SCHEMBL10335498 0.58 GAA (0.46) ALOX5CTSVCTSLCTSBCTSH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2238131-A1 5-O-SUBSTITUTED 3-N-PHENYL-1,3,4-OXADIAZOLONES FOR MEDICAL USE BIAL - Portela & Ca., S.A. (PT) 2010-10-13 EP claimed
WO-2009084970-A1 5-O-SUBSTITUTED 3-N-PHENYL-1,3,4-OXADIAZOLONES FOR MEDICAL USE BIAL-PORTELA & COMPANHIA, S.A. (PT) 2009-07-09 WO claimed
US-4076824-A Anthelmintic oxadiazolinone derivatives RHONE-POULENC INDUSTRIES (FR) 1978-02-28 US disclosed