SCHEMBL7674864

SCHEMBL7674864

CN1CCN(c2ccc(S(=O)(=O)Oc3ccccc3)c(Cl)c2[N+](=O)[O-])CC1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
PKM P14618 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.41
HTR6 P50406 1/20 0.41
ALDH1A1 P00352 7/20 0.40
GAA P10253 2/20 0.40
WDR5 P61964 5/20 0.39
HTT P42858 2/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP2D6 P10635 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL7169302 0.80 LMNA (0.44) LMNASMN1; SMN2PKML3MBTL1ALDH1A1
SCHEMBL7169064 0.77 TDP1 (0.40) LMNASMN1; SMN2ALDH1A1HTTKMT2A
SCHEMBL7172562 0.76 LMNA (0.37) LMNASMN1; SMN2PKML3MBTL1ALDH1A1
SCHEMBL7170239 0.76 SMN1; SMN2 (0.44) SMN1; SMN2L3MBTL1ALDH1A1KMT2ACYP2D6
Hydrochloric Acid SCHEMBL7669155 0.76 LMNA (0.37) LMNASMN1; SMN2PKML3MBTL1ALDH1A1
SCHEMBL27530283 0.73 LMNA (0.49) LMNASMN1; SMN2PKML3MBTL1HTR6
SCHEMBL27433750 0.68 ALPL (0.48) SMN1; SMN2ALDH1A1HTTPOLBKMT2A
SCHEMBL4884796 0.67 MAPT (0.50) LMNASMN1; SMN2ALDH1A1WDR5POLB
SCHEMBL29509026 0.65 ALDH1A1 (0.47) LMNASMN1; SMN2PKML3MBTL1ALDH1A1
SCHEMBL5200902 0.65 LMNA (0.46) LMNASMN1; SMN2PKML3MBTL1HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6369057-B1 VIRICIDES, IN PARTICULAR AGAINST RETROVIRUSES, HUMAN IMMUNODEFICIENCY VIRUS (HIV) AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-04-09 US disclosed
EP-0657166-A1 Combination containing a quinoxaline and a nucleoside HOECHST AKTIENGESELLSCHAFT (DE) 1995-06-14 EP disclosed