SCHEMBL7838318

SCHEMBL7838318

CCCOc1nc2sccc2c(=NC)n1CCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 1/20 0.41
▸ USP2 O75604 1/20 0.36
▸ TP53 P04637 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ LMNA P02545 2/20 0.33
▸ MAPK1 P28482 3/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ RXFP1 Q9HBX9 1/20 0.31
▸ ELANE P08246 1/20 0.30
▸ NTRK1 P04629 1/20 0.30

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
SCHEMBL7493635 0.82 USP2 (0.49) PDE5AUSP2TP53SMN1; SMN2MEN1
SCHEMBL7090211 0.82 PDE5A (0.42) PDE5AUSP2TP53SMN1; SMN2MEN1
SCHEMBL7838892 0.78 USP2 (0.35) USP2MAPK1
SCHEMBL7092868 0.76 TLR7 (0.45) TP53SMN1; SMN2MEN1NPC1POLB
SCHEMBL7808088 0.74 PDE5A (0.45) PDE5AUSP2TP53SMN1; SMN2LMNA
SCHEMBL7966891 0.67 PDE7A (0.50) PDE5AUSP2SMN1; SMN2LMNAL3MBTL1
SCHEMBL7093437 0.65 USP2 (0.34) USP2MAPK1HSD17B10ALDH1A1
SCHEMBL7090330 0.65 USP2 (0.34) USP2MAPK1
SCHEMBL7090328 0.65 USP2 (0.34) USP2MAPK1
SCHEMBL7660655 0.65 LMNA (0.41) PDE5AUSP2TP53SMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1124830-A1 PYRIMIDIN-4-ENAMINE AS FUNGICIDE Syngenta Participations AG (CH) 2001-08-22 — — EP disclosed
WO-2000031082-A1 PYRIMIDIN-4-ENAMINE AS FUNGICIDE SYNGENTA PARTICIPATIONS AG (CH) 2000-06-02 — — WO disclosed
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