SCHEMBL11261012

SCHEMBL11261012

CCC(COc1ccccc1Cl)Nc1ncnc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ HTT P42858 2/20 0.47
▸ GAA P10253 1/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ NR2F2 P24468 2/20 0.46
▸ GALR3 O60755 1/20 0.46
▸ LDHA P00338 1/20 0.42
▸ EGFR P00533 4/20 0.41
▸ S1PR2 O95136 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ PDE1B Q01064 2/20 0.41
▸ PDE1A P54750 1/20 0.41
▸ PDE1C Q14123 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ SOS1 Q07889 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
SCHEMBL11247112 0.82 LDHA (0.58) SMN1; SMN2HTTGAAALOX15MAPK1
SCHEMBL28698713 0.77 HPGD (0.45) SMN1; SMN2HTTGAANR2F2GALR3
SCHEMBL29898303 0.77 HPGD (0.45) SMN1; SMN2HTTGAANR2F2GALR3
SCHEMBL28698711 0.77 HPGD (0.45) SMN1; SMN2HTTGAANR2F2GALR3
SCHEMBL11246532 0.77 EGFR (0.51) SMN1; SMN2HTTGAAALOX15MAPK1
SCHEMBL11251547 0.76 GALR3 (0.51) SMN1; SMN2HTTGAAALOX15MAPK1
SCHEMBL11254607 0.74 LDHA (0.64) SMN1; SMN2HTTGAAMAPK1HSD17B10
SCHEMBL28689151 0.73 EGFR (0.42) SMN1; SMN2HTTGAAALOX15MAPK1
SCHEMBL28689152 0.73 EGFR (0.42) SMN1; SMN2HTTGAAALOX15MAPK1
SCHEMBL29898291 0.73 EGFR (0.42) SMN1; SMN2HTTGAAALOX15MAPK1

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
US-4323680-A 4-Aminoquinazoline compounds useful as agricultural fungicides SANKYO COMPANY LIMITED (JP) 1982-04-06 — — US disclosed
US-4213987-A 4-AMINOQUINAZOLINES SANKYO COMPANY LIMITED (JP) 1980-07-22 — — US disclosed
Send feedback