SCHEMBL6237443

SCHEMBL6237443

CC(=O)NCC1CN(c2ccc(N3CCN(C(=O)N4CCN(c5ccccn5)CC4)CC3)nc2)C(=O)O1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F10 P00742 4/20 0.49
KDM4E B2RXH2 4/20 0.47
ALDH1A1 P00352 3/20 0.47
HSD17B10 Q99714 2/20 0.47
HPGD P15428 1/20 0.47
MAOA P21397 5/20 0.47
MAOB P27338 2/20 0.47
LMNA P02545 1/20 0.47
PTGS1 P23219 1/20 0.47
CALML3 P27482 1/20 0.47
SDHA P31040 1/20 0.47
ABCB11 O95342 1/20 0.46
GAA P10253 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KMT2A Q03164 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 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
SCHEMBL6237438 1.00 F10 (0.49) F10KDM4EALDH1A1HSD17B10HPGD
SCHEMBL6239815 0.91 F10 (0.49) F10KDM4EALDH1A1HSD17B10HPGD
SCHEMBL6239827 0.90 F10 (0.48) F10KDM4EALDH1A1HSD17B10HPGD
SCHEMBL6239834 0.90 F10 (0.48) F10KDM4EALDH1A1HSD17B10HPGD
SCHEMBL8308984 0.88 MAOA (0.54) F10MAOAMAOBLMNAPTGS1
SCHEMBL6237156 0.87 KDM4E (0.47) F10KDM4EALDH1A1MAOAMAOB
SCHEMBL6239389 0.85 F10 (0.56) F10MAOAMAOBLMNAPTGS1
SCHEMBL6237098 0.85 F10 (0.56) F10MAOAMAOBLMNAPTGS1
SCHEMBL6235172 0.84 F10 (0.47) F10KDM4EALDH1A1HSD17B10HPGD
SCHEMBL6234972 0.84 F10 (0.47) F10KDM4EALDH1A1HSD17B10HPGD

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
WO-2005003087-A2 OXAZOLE DERIVATIVES AS ANTIBACTERIAL AGENTS ORCHID CHEMICALS AND PHARMACEUTICALS LTD. (IN) 2005-01-13 WO claimed
WO-2005003087-A2 OXAZOLE DERIVATIVES AS ANTIBACTERIAL AGENTS ORCHID CHEMICALS AND PHARMACEUTICALS LTD. (IN) 2005-01-13 WO disclosed