SCHEMBL6558372

SCHEMBL6558372

CCOC(=O)CCc1c(C)n[nH]c1NC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.43
HPGD P15428 2/20 0.41
TP53 P04637 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 3/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
HSD17B10 Q99714 2/20 0.41
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.38
TOP2A P11388 2/20 0.38
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
P2RY12 Q9H244 1/20 0.38
ALOX5 P09917 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL6558343 0.87 NPC1 (0.41) TP53MEN1KMT2ALMNAALDH1A1
SCHEMBL6557414 0.80 MTNR1A (0.40) HPGDTP53MEN1KMT2ASMN1; SMN2
SCHEMBL6065097 0.80 PKM (0.45) HPGDMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL6557418 0.79 HSD17B10 (0.36) POLBHPGDMEN1KMT2ASMN1; SMN2
SCHEMBL6559436 0.75 MAPK1 (0.32) HPGDMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL6559547 0.74 MEN1 (0.34) HPGDMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL508530 0.72 PDE4D (0.53) HPGDMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL6065016 0.70 KMT2A (0.33) MEN1KMT2ASMN1; SMN2LMNAMAPT
SCHEMBL5147593 0.70 CYP4F2 (0.48) POLBMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL6065131 0.69 LMNA (0.40) HPGDSMN1; SMN2LMNAALDH1A1KDM4E

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-1392704-A1 CEPHEM COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-03-03 EP disclosed
WO-2002090364-A1 CEPHEM COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-14 WO disclosed