SCHEMBL7219632

SCHEMBL7219632

CCC(=NO)c1nc(C)nc2c1C(C)(O)C(=O)N2c1ccc(OC)cc1OC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
ESR1 P03372 1/20 0.36
SMN1; SMN2 Q16637 5/20 0.35
LMNA P02545 3/20 0.35
MAPT P10636 4/20 0.34
GAA P10253 2/20 0.34
MAPK1 P28482 1/20 0.34
ALDH1A1 P00352 5/20 0.33
KMT2A Q03164 3/20 0.33
HPGD P15428 2/20 0.33
MEN1 O00255 1/20 0.33
HTT P42858 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CRHR1 P34998 2/20 0.33
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33
TUBA3C P0DPH7 1/20 0.33
TUBA1B P68363 1/20 0.33
TUBA4A P68366 1/20 0.33
TUBB4B P68371 1/20 0.33

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
SCHEMBL7219628 1.00 TSHR (0.36) TSHRESR1SMN1; SMN2LMNAMAPT
SCHEMBL7220577 0.88 CRHR1 (0.32) GAAALDH1A1KMT2AMEN1CRHR1
SCHEMBL7220567 0.88 CRHR1 (0.32) GAAALDH1A1KMT2AMEN1CRHR1
SCHEMBL7227065 0.83
SCHEMBL7227070 0.83
SCHEMBL7228114 0.81 ALDH1A1 (0.33) ALDH1A1CRHR1
SCHEMBL7228112 0.81 ALDH1A1 (0.33) ALDH1A1CRHR1
SCHEMBL7220677 0.80 CRHR1 (0.35) SMN1; SMN2MAPTALDH1A1KMT2AMEN1
SCHEMBL7227339 0.77
SCHEMBL7227341 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1103553-A2 Substituted heterocyclic derivatives Pfizer Products Inc. (US) 2001-05-30 EP claimed
US-6525067-B1 Corticotropin releasing factor antagonists; such as 1-(2-methyl-8-(2,4,6-trimethyl-phenyl)-quinolin-4-yl)-propan-1-one-oxime PFIZER INC 2003-02-25 US disclosed
EP-1103553-A2 Substituted heterocyclic derivatives Pfizer Products Inc. (US) 2001-05-30 EP disclosed