SCHEMBL6603647

SCHEMBL6603647

Nc1nc(-c2ccc(Cl)cc2)co1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.81
MAPT P10636 2/20 0.46
KDM4E B2RXH2 4/20 0.44
NOTUM Q6P988 4/20 0.44
RAB9A P51151 4/20 0.44
NPC1 O15118 3/20 0.44
ALDH1A1 P00352 2/20 0.41
HSD17B10 Q99714 1/20 0.41
LMNA P02545 2/20 0.40
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
GLA P06280 1/20 0.40
POLB P06746 1/20 0.40
HSP90AA1 P07900 1/20 0.40
CYP3A4 P08684 1/20 0.40
GAA P10253 1/20 0.40
CYP2C9 P11712 1/20 0.40
PKM P14618 1/20 0.40
HPGD P15428 1/20 0.40
ALOX12 P18054 1/20 0.40

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
SCHEMBL7933583 0.80 LTA4H (0.56) LTA4HMAPTALDH1A1HSD17B10MEN1
SCHEMBL13210267 0.80 ENPP3 (0.63) LTA4HMAPTKDM4ERAB9ANPC1
SCHEMBL17548467 0.80 LTA4H (0.56) LTA4HMAPTKDM4ERAB9ANPC1
SCHEMBL15100535 0.79 LTA4H (0.55) LTA4HMAPTKDM4ERAB9ANPC1
SCHEMBL13209803 0.79 LTA4H (0.54) LTA4HMAPTKDM4ERAB9ANPC1
SCHEMBL8119166 0.79 LTA4H (0.54) LTA4HMAPTKDM4ENOTUMRAB9A
SCHEMBL3636890 0.79 LTA4H (0.54) LTA4HMAPTKDM4ENOTUMRAB9A
SCHEMBL2901258 0.77 LTA4H (0.53) LTA4HKDM4EMEN1KMT2AFBP1
SCHEMBL2056109 0.76 ENPP3 (0.69) LTA4HMAPTKDM4ERAB9ANPC1
SCHEMBL15100543 0.76 ENPP3 (0.65) LTA4HMAPTKDM4ERAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1204128-C Process for preparing oxazole derivatives TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2005-06-01 CN disclosed
US-6699995-B1 ALKYLATION AT 5-POSITION OF OXAZOLE BY REACTION WITH UNSATURATED COMPOUND IN PRESENCE OF ACID OR BASE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2004-03-02 US disclosed
EP-1219610-B1 PROCESS FOR THE PREPARATION OF OXAZOLE DERIVATIVES TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2004-02-25 EP disclosed
EP-1219610-A1 PROCESS FOR THE PREPARATION OF OXAZOLE DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2002-07-03 EP disclosed