SCHEMBL9729249

SCHEMBL9729249

COc1cccc(OC)c1SCC(=O)N1CCOCC1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.61
KMT2A Q03164 5/20 0.60
MEN1 O00255 4/20 0.60
FKBP1A P62942 3/20 0.59
MAPK1 P28482 4/20 0.57
TP53 P04637 3/20 0.57
RAB9A P51151 2/20 0.57
POLB P06746 2/20 0.56
PKM P14618 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
ALOX15 P16050 1/20 0.54
TSHR P16473 1/20 0.54
NPC1 O15118 1/20 0.54
USP2 O75604 1/20 0.54
ALDH1A1 P00352 1/20 0.54
HSD17B10 Q99714 1/20 0.54
HTT P42858 1/20 0.53

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
SCHEMBL8742273 0.78 MAPK1 (0.61) SMN1; SMN2KMT2AMEN1FKBP1AMAPK1
SCHEMBL8325065 0.76 KMT2A (0.71) SMN1; SMN2KMT2AMEN1MAPK1ALOX15
SCHEMBL30118954 0.76 KMT2A (0.71) SMN1; SMN2KMT2AMEN1MAPK1ALOX15
SCHEMBL1528648 0.75 KDM4E (0.74) SMN1; SMN2TP53RAB9APOLB
SCHEMBL8328048 0.74 KMT2A (0.68) KMT2AMEN1FKBP1AHTT
SCHEMBL14005042 0.72 SMN1; SMN2 (1.00) SMN1; SMN2KMT2AMEN1FKBP1AMAPK1
SCHEMBL6037483 0.71 FKBP1A (0.58) SMN1; SMN2KMT2AMEN1FKBP1AMAPK1
SCHEMBL12766946 0.71 HTT (0.72) KMT2APOLBPKMNPSR1TSHR
SCHEMBL11209832 0.71 CA12 (0.50) SMN1; SMN2KMT2AMAPK1TP53RAB9A
SCHEMBL11209836 0.71 MAPT (0.53) SMN1; SMN2POLBTSHRALDH1A1HSD17B10

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-5102667-A Antiallergens, antiinflammatory agents, nervous system disorders, immunology, psychological disorders RHONE-POULENC SANTE (FR) 1992-04-07 US disclosed