SCHEMBL7651002

SCHEMBL7651002

CCCON=C(N)NOc1cc(C)cc(OS(=O)(=O)c2ccccc2S(=O)(=O)N2CCN(c3ccccc3OC)CC2)c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F2 P00734 8/20 0.49
KMT2A Q03164 1/20 0.47
ALDH1A1 P00352 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
LMNA P02545 3/20 0.43
GAA P10253 3/20 0.43
USP2 O75604 2/20 0.43
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
GLA P06280 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.41
GFER P55789 1/20 0.40

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
Hydrochloric Acid SCHEMBL7651597 0.99 F2 (0.48) F2KMT2AALDH1A1SMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL7650554 0.88 F2 (0.45) F2SMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL6746007 0.87 F2 (0.49) F2
Hydrochloric Acid SCHEMBL7650543 0.87 F2 (0.47) F2
SCHEMBL7653398 0.86 F2 (0.46) F2KMT2AALDH1A1SMN1; SMN2RAB9A
Hydrochloric Acid SCHEMBL7647598 0.86 F2 (0.47) F2
Hydrochloric Acid SCHEMBL7650074 0.86 F2 (0.46) F2KMT2AALDH1A1SMN1; SMN2RAB9A
SCHEMBL7649302 0.85 F2 (0.46) F2KMT2AALDH1A1SMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL7647673 0.84 F2 (0.44) F2KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL7859473 0.84 F2 (0.45) F2

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
EP-0944590-B1 AMINOGUANIDINES AND ALKOXYGUANIDINES AS PROTEASE INHIBITORS DIMENSIONAL PHARM INC (US) 2002-03-20 EP claimed