SCHEMBL22757127

SCHEMBL22757127

C=C/C=C\C(=C/C)C(=O)Nc1ccc(-c2nc(-c3ccccc3)no2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.47
▸ TP53 P04637 2/20 0.47
▸ POLB P06746 2/20 0.47
▸ NPC1 O15118 3/20 0.45
▸ RAB9A P51151 3/20 0.45
▸ NFKB1 P19838 2/20 0.45
▸ NFKB2 Q00653 2/20 0.45
▸ RELA Q04206 2/20 0.45
▸ NR1H4 Q96RI1 3/20 0.45
▸ HDAC4 P56524 1/20 0.43
▸ HAVCR2 Q8TDQ0 4/20 0.43
▸ S1PR1 P21453 2/20 0.43
▸ KMT2A Q03164 3/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ HPGD P15428 1/20 0.42
▸ HSD17B10 Q99714 3/20 0.41
▸ CA2 P00918 2/20 0.41

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
SCHEMBL22757151 0.86 MAPT (0.47) MAPTTP53POLBNPC1RAB9A
SCHEMBL19464495 0.79 TGM2 (0.47) MAPTTP53POLBNPC1RAB9A
SCHEMBL22757162 0.78 MAPT (0.52) MAPTTP53POLBNPC1RAB9A
SCHEMBL11714556 0.76 NR1H4 (0.64) MAPTTP53POLBNPC1RAB9A
SCHEMBL16592529 0.74 PTPN1 (0.61) MAPTTP53POLBNPC1RAB9A
SCHEMBL3074014 0.71 HDAC1 (0.57) MAPTTP53POLBNPC1RAB9A
SCHEMBL16592484 0.70 SMN1; SMN2 (0.71) MAPTTP53POLBNPC1RAB9A
SCHEMBL16592740 0.70 RAB9A (0.60) MAPTTP53POLBNPC1RAB9A
SCHEMBL16592706 0.69 PRMT1 (0.58) MAPTTP53POLBNR1H4HDAC4
SCHEMBL16592774 0.69 S1PR1 (0.70) MAPTTP53POLBNPC1RAB9A

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-2853532-B1 1,2,4-oxadiazole derivatives as allosteric modulators of metabotropic glutamate receptors belonging to group III INST FARMAKOLOGII POLSKIEJ AKADEMII NAUK (PL) 2020-12-09 — — EP disclosed
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