SCHEMBL2358745

SCHEMBL2358745

CC(Br)C(=O)c1ccc2c(c1)OC(F)(F)O2

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 3/20 0.51
WNT3A P56704 3/20 0.51
SMYD3 Q9H7B4 3/20 0.45
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
ADORA3 P0DMS8 1/20 0.40
ADORA2A P29274 1/20 0.40
ADORA2B P29275 1/20 0.40
ADORA1 P30542 1/20 0.40
TAS2R8 Q9NYW2 1/20 0.38
GPR183 P32249 3/20 0.38
PDE2A O00408 3/20 0.38
MRGPRX4 Q96LA9 1/20 0.38
HDAC4 P56524 1/20 0.36
GPR55 Q9Y2T6 1/20 0.36
OGA O60502 1/20 0.35

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
SCHEMBL31070398 1.00 CTNNB1 (0.51) CTNNB1WNT3ASMYD3ALDH1A1CYP1A2
SCHEMBL11434846 0.87 CTNNB1 (0.54) CTNNB1WNT3ASMYD3ADORA3ADORA2A
SCHEMBL31070402 0.82 HTR1B (0.52) CTNNB1WNT3ASMYD3ADORA3ADORA2A
SCHEMBL31070403 0.82 HTR1B (0.52) CTNNB1WNT3ASMYD3ADORA3ADORA2A
SCHEMBL5595558 0.80 CNR1 (0.54) CTNNB1WNT3AALDH1A1CYP1A2CYP2C9
SCHEMBL31070399 0.80 PGR (0.51) CTNNB1WNT3ASMYD3ADORA3ADORA2A
SCHEMBL1347343 0.78 CTNNB1 (0.58) CTNNB1WNT3ASMYD3TAS2R8GPR183
SCHEMBL10407674 0.78 CTNNB1 (0.61) CTNNB1WNT3ASMYD3GPR183MRGPRX4
SCHEMBL758294 0.78 KDM4E (0.47) CTNNB1WNT3ASMYD3ALDH1A1
SCHEMBL22902082 0.77 SMYD3 (0.53) CTNNB1WNT3ASMYD3ADORA3ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2349966-A1 NEW ANALOGS OF POLYSPHORIN AND USES THEREOF FOR TREATING OR PREVENTING MALARIA Assistance Publique - Hôpitaux de Paris (FR) 2011-08-03 EP disclosed
EP-2177496-A1 New analogs of polysphorin and uses thereof for treating or preventing malaria Assistance Publique - Hopitaux de Paris (FR) 2010-04-21 EP disclosed
EP-2177496-A1 New analogs of polysphorin and uses thereof for treating or preventing malaria Assistance Publique - Hopitaux de Paris (FR) 2010-04-21 EP disclosed
WO-2010040730-A1 NEW ANALOGS OF POLYSPHORIN AND USES THEREOF FOR TREATING OR PREVENTING MALARIA ASSISTANCE PUBLIQUE - HÔPITAUX DE PARIS (FR) 2010-04-15 WO disclosed
WO-2010040730-A1 NEW ANALOGS OF POLYSPHORIN AND USES THEREOF FOR TREATING OR PREVENTING MALARIA ASSISTANCE PUBLIQUE - HÔPITAUX DE PARIS (FR) 2010-04-15 WO disclosed