SCHEMBL16358205

SCHEMBL16358205

Cc1ccc(COC(N)=O)o1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.53
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM5 P08912 1/20 0.41
CHRM1 P11229 1/20 0.41
CYP2C9 P11712 1/20 0.41
CHRM3 P20309 1/20 0.41
MAPT P10636 2/20 0.40
ALOX15 P16050 1/20 0.40
ALDH1A1 P00352 3/20 0.40
TSHR P16473 1/20 0.40
KDM4E B2RXH2 2/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
PKM P14618 1/20 0.37

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
SCHEMBL9123636 0.86 NQO1 (0.40) ALOX5KMT2AMAPTALOX15ALDH1A1
SCHEMBL3974470 0.83 ALDH1A1 (0.53) ALOX5MEN1KMT2ACHRM2CHRM4
SCHEMBL17485847 0.81 ALDH1A1 (0.51) ALOX5MEN1KMT2AMAPTALOX15
SCHEMBL29141709 0.79 TDP1 (0.46) ALOX5CYP2C9MAPTALDH1A1TSHR
SCHEMBL25987625 0.79 SMN1; SMN2 (0.52) MEN1KMT2AMAPTALDH1A1TSHR
SCHEMBL17485838 0.79 SMN1; SMN2 (0.42) ALOX5MEN1KMT2AMAPTALDH1A1
SCHEMBL18460850 0.77 SMN1; SMN2 (0.38) ALOX5CHRM2CHRM4CHRM5CHRM1
SCHEMBL7269709 0.77 ALOX5 (0.41) ALOX5MEN1KMT2ACHRM2CHRM4
SCHEMBL24050225 0.75 HPGD (0.53) MEN1KMT2AALDH1A1TSHRKDM4E
SCHEMBL17485950 0.75 SMN1; SMN2 (0.33) ALOX5MEN1KMT2AMAPTALDH1A1

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
WO-2007137196-A2 TUBULIN BINDING ANTI CANCER COMPOUNDS AND PRODRUGS THEREOF THRESHOLD PHARMACEUTICALS, INC. (US) 2007-11-29 WO disclosed