SCHEMBL4254892

SCHEMBL4254892

O=C(C[S])Nc1ccc(F)cc1F

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.59
POLB P06746 1/20 0.59
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
HTT P42858 2/20 0.56
ALDH1A1 P00352 3/20 0.55
TP53 P04637 1/20 0.55
TDP1 Q9NUW8 1/20 0.54
MAPT P10636 1/20 0.53
NPC1 O15118 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
CYP2C19 P33261 1/20 0.53
PKM P14618 2/20 0.53
GAA P10253 2/20 0.52
HSD17B10 Q99714 1/20 0.52

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
SCHEMBL29268504 0.84 RAB9A (0.60) RAB9APOLBMEN1KMT2AHTT
SCHEMBL30938481 0.82 RAB9A (0.59) RAB9APOLBMEN1KMT2AHTT
SCHEMBL4254896 0.82 RAB9A (0.59) RAB9APOLBMEN1KMT2AHTT
SCHEMBL8234531 0.82 RAB9A (0.63) RAB9APOLBMEN1KMT2AHTT
SCHEMBL5226832 0.82 PKM (0.60) RAB9APOLBMEN1KMT2AHTT
SCHEMBL263278 0.82 RAB9A (0.59) RAB9APOLBMEN1KMT2AHTT
SCHEMBL6036198 0.82 RAB9A (0.59) RAB9APOLBMEN1KMT2AHTT
SCHEMBL30986310 0.82 RAB9A (0.59) RAB9APOLBMEN1KMT2AHTT
SCHEMBL30381367 0.82 PKM (0.60) RAB9APOLBMEN1KMT2AHTT
SCHEMBL15480431 0.81 POLB (0.66) RAB9APOLBMEN1KMT2AHTT

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-1846430-B1 NEW MACROLIDES BASILEA PHARMACEUTICA AG (CH) 2009-04-01 EP disclosed