SCHEMBL11522249

SCHEMBL11522249

CC(Sc1ccccc1I)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 3/20 0.47
NPSR1 Q6W5P4 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 3/20 0.45
PRNP P04156 2/20 0.45
KDM4E B2RXH2 2/20 0.45
MAP2K7 O14733 1/20 0.45
ELANE P08246 1/20 0.45
CDC25A P30304 1/20 0.45
CDC25B P30305 1/20 0.45
MAPK10 P53779 1/20 0.45
LMNA P02545 2/20 0.40
PTGS2 P35354 1/20 0.39
POLB P06746 2/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38
SLC22A12 Q96S37 1/20 0.37
MDM4 O15151 1/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL13603779 0.86 RXFP1 (0.54) RXFP1NPSR1SMN1; SMN2ALDH1A1PRNP
SCHEMBL9849600 0.79 RXFP1 (0.49) RXFP1NPSR1SMN1; SMN2ALDH1A1PRNP
SCHEMBL11517389 0.79 RXFP1 (0.50) RXFP1NPSR1SMN1; SMN2ALDH1A1PRNP
SCHEMBL10589041 0.78 NPSR1 (0.49) RXFP1NPSR1SMN1; SMN2ALDH1A1PRNP
SCHEMBL1849376 0.78 RXFP1 (0.47) RXFP1NPSR1SMN1; SMN2ALDH1A1PRNP
SCHEMBL10745516 0.78 POLB (0.63) RXFP1NPSR1SMN1; SMN2ALDH1A1PRNP
SCHEMBL9849304 0.78 RXFP1 (0.49) RXFP1NPSR1SMN1; SMN2ALDH1A1PRNP
SCHEMBL1931354 0.74 KDM4E (0.51) RXFP1NPSR1SMN1; SMN2ALDH1A1PRNP
SCHEMBL8941930 0.73 ALDH1A1 (0.50) RXFP1NPSR1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL11518250 0.73 ITGB3 (0.50) RXFP1NPSR1SMN1; SMN2ALDH1A1MAP2K7

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4155905-A 6-Substituted penicillanic acid and derivatives thereof E. R. SQUIBB & SONS, INC. (US) 1979-05-22 US disclosed
US-4077967-A 6-Substituted penicillanic acid and derivatives thereof E. R. SQUIBB & SONS, INC. (US) 1978-03-07 US disclosed
US-4061629-A 6-Amino-6-arylthio penicillanic acids and derivatives thereof E. R. SQUIBB & SONS, INC. (US) 1977-12-06 US disclosed
US-4061851-A 7-Amino-7-arylthio cephalosporins E. R. SQUIBB & SONS, INC. (US) 1977-12-06 US disclosed
US-4029669-A 6-Benzalimino-6-arylthio penicillanic acids and derivatives thereof E. R. SQUIBB & SONS, INC. (US) 1977-06-14 US disclosed
US-4026886-A 7-Acyl-7-arylthiocephalosporins E. R. SQUIBB & SONS, INC. (US) 1977-05-31 US disclosed
US-3965093-A 6-Arylthio penicillanic acid and derivatives thereof E. R. SQUIBB & SONS, INC. (US) 1976-06-22 US disclosed
US-3954744-A ANTIBACTERIAL E. R. SQUIBB & SONS, INC. (US) 1976-05-04 US disclosed