SCHEMBL16696397

SCHEMBL16696397

CCCCOC(=O)Nc1ccc(Br)cc1C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.56
NPY1R P25929 1/20 0.55
NPY2R P49146 1/20 0.55
RAB9A P51151 7/20 0.53
HPGD P15428 6/20 0.53
NPC1 O15118 6/20 0.53
CYP1A2 P05177 5/20 0.53
CYP2C19 P33261 5/20 0.53
CYP2C9 P11712 4/20 0.53
EGFR P00533 2/20 0.53
KDR P35968 2/20 0.53
ALDH1A1 P00352 3/20 0.51
L3MBTL1 Q9Y468 3/20 0.51
KDM4E B2RXH2 2/20 0.51
LMNA P02545 2/20 0.49
TSHR P16473 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
MAPT P10636 2/20 0.47
MEN1 O00255 1/20 0.47
CYP3A4 P08684 1/20 0.47

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
SCHEMBL31078996 1.00 SMN1; SMN2 (0.56) SMN1; SMN2NPY1RNPY2RRAB9AHPGD
SCHEMBL6004344 0.87 SMN1; SMN2 (0.73) SMN1; SMN2NPY1RNPY2RRAB9AHPGD
SCHEMBL7407182 0.85 SMN1; SMN2 (0.53) SMN1; SMN2RAB9AHPGDNPC1CYP1A2
SCHEMBL16654381 0.81 SMN1; SMN2 (0.56) SMN1; SMN2RAB9AHPGDNPC1CYP1A2
SCHEMBL13506223 0.80 SMN1; SMN2 (0.68) SMN1; SMN2RAB9AHPGDNPC1CYP1A2
SCHEMBL13334587 0.79 MAPT (0.58) SMN1; SMN2NPY1RNPY2RRAB9AHPGD
SCHEMBL27346145 0.78 NPY1R (0.74) NPY1RNPY2RRAB9AHPGDCYP1A2
SCHEMBL14513419 0.78 NLRP3 (0.65) SMN1; SMN2RAB9AHPGDNPC1CYP1A2
SCHEMBL30190594 0.78 RAB9A (0.51) SMN1; SMN2RAB9AHPGDNPC1CYP1A2
SCHEMBL7815282 0.78 RAB9A (0.68) SMN1; SMN2RAB9AHPGDNPC1CYP1A2

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
WO-2015066413-A1 OXAZOLIDINONE HYDROXAMIC ACID COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS NOVARTIS AG (CH) 2015-05-07 WO disclosed