SCHEMBL9726241

SCHEMBL9726241

O=S(=O)(c1ccccc1)N(CCCC1CC(c2ccccc2)=CCN1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.42
LMNA P02545 1/20 0.41
CAMK2A Q9UQM7 2/20 0.41
ALOX5 P09917 3/20 0.40
CAMK2G Q13555 1/20 0.40
NR1I2 O75469 1/20 0.39
PTGES O14684 2/20 0.39
BMP1 P13497 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TP53 P04637 1/20 0.36
HTR7 P34969 1/20 0.36
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 1/20 0.34
RORC P51449 1/20 0.34

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
SCHEMBL9868832 0.72 SIGMAR1 (0.39)
SCHEMBL6648243 0.71 SIGMAR1 (0.36)
Hydrochloric Acid SCHEMBL6586236 0.69 HTR2C (0.41) TP53MAPK1
SCHEMBL9726244 0.69 HTR7 (0.50) HTR7
SCHEMBL6648602 0.69 SIGMAR1 (0.36)
SCHEMBL5189511 0.67 ESR1 (0.80) ESR1LMNAALOX5NR1I2PTGES
SCHEMBL6648237 0.67 LMNA (0.41) LMNA
SCHEMBL5265951 0.66 POLB (0.44) KMT2A
SCHEMBL10849078 0.66 ALDH1A1 (0.39) LMNATSHRKMT2AHSD17B10
SCHEMBL10851305 0.65 ALDH1A1 (0.38) LMNATSHRKMT2AHSD17B10

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-5130313-A Central nervous system disorders, cardiovascular disorders or gastrointestinal disorders RHONE-POULENC SANTE (FR) 1992-07-14 US disclosed