SCHEMBL7878249

SCHEMBL7878249

O=C(O)CC(CNc1nc2ccccc2[nH]1)c1ccc(Cl)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 1/20 0.54
RAB9A P51151 3/20 0.52
NPC1 O15118 2/20 0.52
KDM4E B2RXH2 1/20 0.52
PRKCZ Q05513 4/20 0.52
SMN1; SMN2 Q16637 2/20 0.48
HTT P42858 1/20 0.48
KCNH2 Q12809 1/20 0.47
NPSR1 Q6W5P4 1/20 0.46
NOD1 Q9Y239 1/20 0.46
TP53 P04637 1/20 0.46
GAA P10253 1/20 0.45
GABBR2 O75899 3/20 0.45
GABBR1 Q9UBS5 3/20 0.45
LMNA P02545 2/20 0.45
CYP2C9 P11712 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
CYP3A4 P08684 1/20 0.45
ADORA3 P0DMS8 1/20 0.45

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
SCHEMBL6935294 0.83 KDM4E (0.41) FFAR2RAB9ANPC1KDM4EPRKCZ
SCHEMBL3538175 0.83 RAB9A (0.55) FFAR2RAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL2302990 0.80 PRKCZ (0.76) RAB9ANPC1KDM4EPRKCZSMN1; SMN2
Hydrochloric Acid SCHEMBL658839 0.79 PRKCZ (0.74) RAB9ANPC1KDM4EPRKCZSMN1; SMN2
SCHEMBL6763140 0.74 ITGAV (0.56) FFAR2RAB9ANPC1KDM4EPRKCZ
SCHEMBL3541921 0.73 RAB9A (0.62) RAB9ANPC1SMN1; SMN2HTTTP53
SCHEMBL8328333 0.73 ALPL (0.64) RAB9ANPC1SMN1; SMN2HTTTP53
SCHEMBL7876392 0.72 ITGB3 (0.65) FFAR2KDM4EGABBR2GABBR1LMNA
SCHEMBL3543587 0.71 FFAR2 (0.54) FFAR2RAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL28972118 0.71 FFAR2 (0.47) FFAR2RAB9ANPC1KDM4ESMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6326403-B1 CARDIOVASCULAR DISORDERS MERCK PATENT GESELLSCHAFT MIT (DE) 2001-12-04 US disclosed