SCHEMBL6032771

SCHEMBL6032771

CC(O)P(c1ccccc1)c1cccnc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.46
KDM4E B2RXH2 2/20 0.40
CFTR P13569 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
GOPC Q9HD26 1/20 0.40
GAA P10253 2/20 0.39
KMT2A Q03164 1/20 0.38
HTT P42858 1/20 0.36
ALDH1A1 P00352 1/20 0.36
APP P05067 1/20 0.36
HCAR3 P49019 1/20 0.36
HCAR2 Q8TDS4 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
KCNA5 P22460 1/20 0.36
LMNA P02545 1/20 0.35

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
SCHEMBL7066892 0.82 CYP3A4 (0.41) KDM4EKMT2AALDH1A1LMNA
SCHEMBL6032746 0.81 KDM4E (0.39) SMN1; SMN2KDM4ECFTRSLC6A2SLC6A4
SCHEMBL9063416 0.79 CYP2A6 (0.41) SMN1; SMN2KDM4ECFTRSLC6A2SLC6A4
SCHEMBL28508279 0.77 PTGS2 (0.41) SMN1; SMN2KDM4EGAAALDH1A1LMNA
SCHEMBL617213 0.70 CYP3A4 (0.57) SMN1; SMN2KDM4ECFTRSLC6A2SLC6A4
SCHEMBL25620250 0.70 CYP3A4 (0.57) SMN1; SMN2KDM4ECFTRSLC6A2SLC6A4
SCHEMBL13557811 0.69 SMN1; SMN2 (0.61) SMN1; SMN2KDM4ECFTRSLC6A2SLC6A4
SCHEMBL29143382 0.68
SCHEMBL12620100 0.68
SCHEMBL20530269 0.67 CFTR (0.42) SMN1; SMN2KDM4ECFTRSLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1598053-B1 Use of a composition containing at least one phosphine as majority reducing agent to remove the artificial colour of keratinic fibres OREAL (FR) 2006-12-20 EP claimed