SCHEMBL28848742

SCHEMBL28848742

c1nc(N2CCCC2)sc1CN1CCOCC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.67
GAA P10253 2/20 0.67
LMNA P02545 2/20 0.64
OGA O60502 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.52
ALDH1A1 P00352 6/20 0.51
MAPK1 P28482 4/20 0.51
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
MAPT P10636 2/20 0.50
NPC1 O15118 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C19 P33261 1/20 0.48
PDE2A O00408 2/20 0.47
PKM P14618 1/20 0.47
RAB9A P51151 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
POLB P06746 1/20 0.46
JAK2 O60674 1/20 0.44

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
SCHEMBL17206376 0.89 SMN1; SMN2 (0.56) SMN1; SMN2GAALMNAOGAL3MBTL1
SCHEMBL3085718 0.88 SMN1; SMN2 (0.57) SMN1; SMN2GAALMNAOGAL3MBTL1
Hydrochloric Acid SCHEMBL4590631 0.85 SMN1; SMN2 (0.61) SMN1; SMN2GAALMNAOGAL3MBTL1
SCHEMBL3082241 0.80 CNR2 (0.55) SMN1; SMN2GAALMNAOGAL3MBTL1
SCHEMBL28120419 0.79 ALDH1A1 (0.47) SMN1; SMN2GAALMNAL3MBTL1ALDH1A1
SCHEMBL28120087 0.78 ALDH1A1 (0.50) SMN1; SMN2GAALMNAL3MBTL1ALDH1A1
SCHEMBL4590541 0.77 ALDH1A1 (0.64) SMN1; SMN2GAALMNAALDH1A1KMT2A
SCHEMBL15714866 0.77 ALDH1A1 (0.53) SMN1; SMN2GAALMNAL3MBTL1ALDH1A1
SCHEMBL28975291 0.77 NPC1 (0.59) SMN1; SMN2GAALMNAOGAALDH1A1
SCHEMBL470928 0.76 SMN1; SMN2 (0.58) SMN1; SMN2GAALMNAOGAALDH1A1

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
CN-107001339-A Novel compounds 特殊治疗有限公司 2017-08-01 CN disclosed