SCHEMBL7673576

SCHEMBL7673576

CCCC(=O)c1ccc(F)c([C@@H]2C[C@@H]2NC(=O)Nc2ccc(Br)cn2)c1OC(=O)c1ccc(NC)nc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.36
NPC1 O15118 5/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 2/20 0.35
HCRTR2 O43614 3/20 0.32
MAPK1 P28482 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
HCRTR1 O43613 2/20 0.31
OPRK1 P41145 1/20 0.31
SSTR5 P35346 1/20 0.31
FPR1 P21462 1/20 0.31
FPR2 P25090 1/20 0.31
MITF O75030 1/20 0.31

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
SCHEMBL7673206 1.00 RAB9A (0.36) RAB9ANPC1SMN1; SMN2KDM4ELMNA
SCHEMBL7673204 1.00 RAB9A (0.36) RAB9ANPC1SMN1; SMN2KDM4ELMNA
SCHEMBL6567869 0.95 KDM4E (0.36) RAB9ANPC1SMN1; SMN2KDM4ELMNA
SCHEMBL6566910 0.95 KDM4E (0.36) RAB9ANPC1SMN1; SMN2KDM4ELMNA
SCHEMBL6566914 0.95 KDM4E (0.36) RAB9ANPC1SMN1; SMN2KDM4ELMNA
SCHEMBL7669844 0.94 RAB9A (0.35) RAB9ANPC1SMN1; SMN2KDM4ELMNA
SCHEMBL7669939 0.94 RAB9A (0.35) RAB9ANPC1SMN1; SMN2KDM4ELMNA
SCHEMBL7669849 0.94 RAB9A (0.35) RAB9ANPC1SMN1; SMN2KDM4ELMNA
SCHEMBL7674902 0.91 RAB9A (0.36) RAB9ANPC1SMN1; SMN2KDM4ELMNA
SCHEMBL7673146 0.91 RAB9A (0.36) RAB9ANPC1SMN1; SMN2KDM4ELMNA

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
US-6486183-B1 Antivirals MEDIVIR AB (SE) 2002-11-26 US disclosed