SCHEMBL6234972

SCHEMBL6234972

O=C1OC(CNC(O)=S)CN1c1ccc(N2CCN(C(=S)N3CCN(c4ccccn4)CC3)CC2)nc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 6/20 0.47
KDM4E B2RXH2 9/20 0.43
POLB P06746 2/20 0.41
ITGB3 P05106 2/20 0.41
ITGA2B P08514 2/20 0.41
ALDH1A1 P00352 3/20 0.41
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HTT P42858 3/20 0.40
HSP90AA1 P07900 1/20 0.40
MAPT P10636 1/20 0.40
PKM P14618 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL6235181 1.00 F10 (0.47) F10KDM4EPOLBITGB3ITGA2B
SCHEMBL6239827 0.94 F10 (0.48) F10KDM4EPOLBITGB3ITGA2B
SCHEMBL6239834 0.94 F10 (0.48) F10KDM4EPOLBITGB3ITGA2B
SCHEMBL6237156 0.92 KDM4E (0.47) F10KDM4EPOLBALDH1A1LMNA
SCHEMBL6235172 0.91 F10 (0.47) F10KDM4EPOLBITGB3ITGA2B
SCHEMBL6233491 0.85 F10 (0.55) F10ITGB3ITGA2B
SCHEMBL6233749 0.85 F10 (0.53) F10ITGB3ITGA2B
SCHEMBL6237006 0.84 F10 (0.49) F10ITGB3ITGA2B
SCHEMBL6256776 0.84 F10 (0.49) F10KDM4EITGB3ITGA2BALDH1A1
SCHEMBL6237443 0.84 F10 (0.49) F10KDM4EALDH1A1LMNASMN1; SMN2

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