SCHEMBL5837409

SCHEMBL5837409

CCCC(=O)Nc1ncc(C)s1

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.58
NPC1 O15118 2/20 0.58
RAB9A P51151 2/20 0.58
GAA P10253 1/20 0.58
MAPK10 P53779 1/20 0.57
TP53 P04637 1/20 0.57
ALDH1A1 P00352 2/20 0.57
MAPT P10636 1/20 0.57
PKM P14618 1/20 0.57
KMT2A Q03164 2/20 0.56
HTT P42858 2/20 0.56
L3MBTL1 Q9Y468 1/20 0.56

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
SCHEMBL10253052 0.89 SMN1; SMN2 (0.65) SMN1; SMN2RAB9AMAPK10PKM
SCHEMBL6361249 0.86 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9AGAATP53
SCHEMBL17368178 0.85 SMN1; SMN2 (0.59) SMN1; SMN2NPC1RAB9AGAATP53
SCHEMBL14903117 0.85 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9AGAATP53
SCHEMBL28413462 0.83 ALDH1A1 (0.61) SMN1; SMN2NPC1RAB9AGAATP53
SCHEMBL28417860 0.83 NPC1 (0.54) SMN1; SMN2NPC1RAB9ATP53ALDH1A1
SCHEMBL15947692 0.83 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9AGAATP53
SCHEMBL5835735 0.82 SMN1; SMN2 (0.83) SMN1; SMN2NPC1RAB9AMAPK10ALDH1A1
SCHEMBL5837008 0.82 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9AGAAMAPK10
SCHEMBL7924409 0.81 RAB9A (0.56) SMN1; SMN2NPC1RAB9ATP53PKM

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-7037929-B1 2-amino-thiazole derivatives, process for their preparation, and their use as antitumor agents PHARMACIA & UPJOHN S.P.A. (IT) 2006-05-02 US disclosed