SCHEMBL9162886

SCHEMBL9162886

Nc1ccc(S(=O)(=O)N2CCN(c3cc4c(cc3F)c(=O)c(C(=O)O)cn4C3CC3)CC2)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.76
KDM4E B2RXH2 6/20 0.76
LMNA P02545 4/20 0.76
HTT P42858 4/20 0.76
SMN1; SMN2 Q16637 2/20 0.76
HPGD P15428 5/20 0.64
HSD17B10 Q99714 2/20 0.64
CYP1A2 P05177 1/20 0.64
TOP2A P11388 1/20 0.64
CYP2C9 P11712 1/20 0.64
TOP2B Q02880 1/20 0.64
MAPT P10636 2/20 0.63
CA1 P00915 1/20 0.63
CA2 P00918 1/20 0.63
PIK3CG P48736 4/20 0.57
PIK3CD O00329 3/20 0.57
PIK3R1 P27986 3/20 0.57
PIK3CA P42336 3/20 0.57
POLB P06746 2/20 0.57
GAA P10253 2/20 0.57

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
SCHEMBL4718919 0.92 ALDH1A1 (0.77) ALDH1A1KDM4ELMNAHTTSMN1; SMN2
SCHEMBL6305080 0.91 ALDH1A1 (0.76) ALDH1A1KDM4ELMNAHTTSMN1; SMN2
SCHEMBL4717454 0.89 ALDH1A1 (0.73) ALDH1A1KDM4ELMNAHTTSMN1; SMN2
SCHEMBL4717706 0.89 ALDH1A1 (0.73) ALDH1A1KDM4ELMNAHTTSMN1; SMN2
SCHEMBL4718628 0.88 ALDH1A1 (0.74) ALDH1A1KDM4ELMNAHTTSMN1; SMN2
SCHEMBL13856427 0.88 ALDH1A1 (0.76) ALDH1A1KDM4ELMNAHTTSMN1; SMN2
SCHEMBL31402731 0.85 KDM4E (0.73) ALDH1A1KDM4ELMNAHTTSMN1; SMN2
SCHEMBL13576360 0.85 KDM4E (0.73) ALDH1A1KDM4ELMNAHTTSMN1; SMN2
SCHEMBL31402729 0.85 KDM4E (0.73) ALDH1A1KDM4ELMNAHTTSMN1; SMN2
SCHEMBL4717749 0.84 KDM4E (0.75) ALDH1A1KDM4ELMNAHTTSMN1; SMN2

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-5395936-A Antibacterial agents MANZO RUBEN H (AR) 1995-03-07 US disclosed