SCHEMBL11240994

SCHEMBL11240994

CCN(CC)c1cccc(NC(=O)c2ccc(OC)c(S(=O)(=O)O)c2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.58
TP53 P04637 3/20 0.58
NPC1 O15118 2/20 0.58
RAB9A P51151 2/20 0.58
MEN1 O00255 8/20 0.52
KMT2A Q03164 8/20 0.52
LMNA P02545 7/20 0.52
MAPT P10636 6/20 0.52
CASP3 P42574 1/20 0.50
SENP8 Q96LD8 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
SENP6 Q9GZR1 1/20 0.50
ALDH1A1 P00352 4/20 0.49
POLB P06746 1/20 0.49
MAPK1 P28482 4/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
TSHR P16473 1/20 0.48
HSD17B10 Q99714 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 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
SCHEMBL11197369 0.79 NPC1 (0.67) SMN1; SMN2TP53NPC1RAB9AMEN1
SCHEMBL6881169 0.79 MAPK14 (0.68) SMN1; SMN2TP53NPC1RAB9AMEN1
SCHEMBL10893771 0.75 ESRRG (0.57) SMN1; SMN2TP53NPC1RAB9AMEN1
SCHEMBL8356134 0.75 KCNK3 (0.63) TP53NPC1RAB9AMEN1KMT2A
SCHEMBL10384848 0.74 KCNK3 (0.58) SMN1; SMN2TP53NPC1RAB9AMEN1
SCHEMBL11203123 0.74 ESRRG (0.56) SMN1; SMN2TP53NPC1RAB9AMEN1
SCHEMBL7662975 0.73 CYP1A2 (0.57) SMN1; SMN2TP53MEN1KMT2ALMNA
SCHEMBL8021820 0.73 CYP1A2 (0.60) SMN1; SMN2TP53MEN1KMT2ALMNA
SCHEMBL7663040 0.73 CYP1A2 (0.57) SMN1; SMN2TP53MEN1KMT2ALMNA
SCHEMBL16677949 0.73 KCNK3 (0.55) SMN1; SMN2TP53NPC1RAB9AMEN1

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-4324722-A Water-soluble substituted aminocarbonyl monoazo dyestuffs BAYER AKTIENGESELLSCHAFT (DE) 1982-04-13 US disclosed