SCHEMBL3160366

SCHEMBL3160366

[CH2]c1ccc2nc(C)sc2n1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.40
RAB9A P51151 7/20 0.39
NPC1 O15118 5/20 0.39
ALDH1A1 P00352 3/20 0.39
HSD17B10 Q99714 3/20 0.39
MAPT P10636 2/20 0.39
TP53 P04637 1/20 0.39
PKM P14618 1/20 0.39
HPGD P15428 1/20 0.39
GAA P10253 2/20 0.36
TDP1 Q9NUW8 3/20 0.35
HTT P42858 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
KDM4E B2RXH2 3/20 0.33
KMT2A Q03164 2/20 0.33
LDHA P00338 1/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
MAOB P27338 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
SCHEMBL805088 0.78 SMN1; SMN2 (0.42) SMN1; SMN2RAB9ANPC1ALDH1A1HSD17B10
Hydrochloric Acid SCHEMBL29733282 0.77 SMN1; SMN2 (0.41) SMN1; SMN2RAB9ANPC1ALDH1A1HSD17B10
SCHEMBL30770739 0.75 SMN1; SMN2 (0.40) SMN1; SMN2RAB9ANPC1ALDH1A1HSD17B10
SCHEMBL17253548 0.75 SMN1; SMN2 (0.40) SMN1; SMN2RAB9ANPC1ALDH1A1HSD17B10
SCHEMBL14970051 0.75 SMN1; SMN2 (0.40) SMN1; SMN2RAB9ANPC1ALDH1A1HSD17B10
SCHEMBL1661549 0.75 SMN1; SMN2 (0.40) SMN1; SMN2RAB9ANPC1ALDH1A1HSD17B10
SCHEMBL30407095 0.75 SMN1; SMN2 (0.40) SMN1; SMN2RAB9ANPC1ALDH1A1HSD17B10
SCHEMBL12557878 0.72 MAOB (0.58) SMN1; SMN2RAB9ANPC1ALDH1A1HSD17B10
SCHEMBL13668639 0.72 SMN1; SMN2 (0.38) SMN1; SMN2RAB9ANPC1ALDH1A1HSD17B10
SCHEMBL13666783 0.72 POLB (0.41) SMN1; SMN2RAB9ANPC1ALDH1A1HSD17B10

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2233493-A1 Macrolides Pfizer Products Inc. (US) 2010-09-29 EP disclosed
EP-1836211-B1 MACROLIDES PFIZER PROD INC (US) 2010-03-03 EP disclosed