SCHEMBL20725934

SCHEMBL20725934

Cc1ccc2oc(NC(C)O)nc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.56
NPC1 O15118 7/20 0.56
MAPT P10636 3/20 0.56
KDM4E B2RXH2 6/20 0.47
SMN1; SMN2 Q16637 5/20 0.47
HPGD P15428 5/20 0.47
ALDH1A1 P00352 4/20 0.47
HSD17B10 Q99714 4/20 0.47
TP53 P04637 2/20 0.47
S1PR1 P21453 1/20 0.47
S1PR3 Q99500 1/20 0.47
CASP3 P42574 2/20 0.45
SENP7 Q9BQF6 2/20 0.45
SENP6 Q9GZR1 2/20 0.45
POLB P06746 1/20 0.45
SENP8 Q96LD8 1/20 0.45
FBP1 P09467 2/20 0.45
HDAC6 Q9UBN7 1/20 0.44
MAPK1 P28482 1/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL11100838 0.82 RAB9A (0.51) RAB9ANPC1MAPTKDM4ESMN1; SMN2
SCHEMBL7899328 0.78 RAB9A (0.64) RAB9ANPC1MAPTKDM4ESMN1; SMN2
SCHEMBL128647 0.75 AGPAT2 (0.56) RAB9ANPC1MAPTKDM4ESMN1; SMN2
SCHEMBL3822363 0.74 RAB9A (0.59) RAB9ANPC1MAPTKDM4ESMN1; SMN2
SCHEMBL23933064 0.74 RAB9A (0.55) RAB9ANPC1MAPTKDM4ESMN1; SMN2
SCHEMBL12162629 0.74 RAB9A (0.55) RAB9ANPC1MAPTKDM4ESMN1; SMN2
SCHEMBL13788541 0.73 PIK3CA (0.49)
SCHEMBL13436713 0.72 RAB9A (0.66) RAB9ANPC1MAPTKDM4ESMN1; SMN2
SCHEMBL128635 0.72 FBP1 (0.61) RAB9ANPC1MAPTKDM4ESMN1; SMN2
SCHEMBL10223594 0.71 RAB9A (0.54) RAB9ANPC1MAPTKDM4ESMN1; 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
EP-3441392-A1 A PHARMACEUTICAL COMPOSITION FOR ORAL ADMINISTRATION Intellikine, LLC (US) 2019-02-13 EP disclosed