SCHEMBL8843979

SCHEMBL8843979

CC(=O)NNCc1ccccn1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.59
ALDH1A1 P00352 4/20 0.51
POLB P06746 3/20 0.51
ATM Q13315 1/20 0.51
NPC1 O15118 4/20 0.50
RAB9A P51151 4/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
KDM4E B2RXH2 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
GAA P10253 2/20 0.49
TSHR P16473 2/20 0.49
CYP1A2 P05177 1/20 0.49
ALOX15 P16050 1/20 0.48
HSD17B10 Q99714 1/20 0.48
HPGD P15428 1/20 0.48

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
SCHEMBL10400430 0.84 SMN1; SMN2 (0.61) SMN1; SMN2ALDH1A1POLBNPC1RAB9A
SCHEMBL48805 0.82 SMN1; SMN2 (0.73) SMN1; SMN2ALDH1A1POLBNPC1RAB9A
SCHEMBL29393091 0.82 SMN1; SMN2 (0.73) SMN1; SMN2ALDH1A1POLBNPC1RAB9A
Acetic Acid SCHEMBL19585270 0.79 SMN1; SMN2 (0.62) SMN1; SMN2ALDH1A1POLBNPC1RAB9A
Hydrochloric Acid SCHEMBL8843077 0.79 ALDH1A1 (0.55) SMN1; SMN2ALDH1A1POLBNPC1RAB9A
SCHEMBL8844061 0.77 ALDH1A1 (0.53) SMN1; SMN2ALDH1A1POLBNPC1RAB9A
SCHEMBL12831873 0.76 SMN1; SMN2 (0.59) SMN1; SMN2ALDH1A1POLBATMNPC1
SCHEMBL15247364 0.76 SMN1; SMN2 (0.80) SMN1; SMN2ALDH1A1POLBNPC1RAB9A
SCHEMBL21994250 0.76 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1POLBRAB9AKDM4E
SCHEMBL10884039 0.76 SMN1; SMN2 (0.59) SMN1; SMN2ALDH1A1POLBNPC1RAB9A

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-5672615-A MATRIX-DEGRADING METALLOPROTEINASE INHIBITORS NOVARTIS CORPORATION (US) 1997-09-30 US disclosed