SCHEMBL8423201

SCHEMBL8423201

O=[N+]([O-])c1ccc(S(=O)(=O)CCN2CCCCC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.60
ALDH1A1 P00352 4/20 0.60
MAPT P10636 3/20 0.60
MITF O75030 1/20 0.60
XBP1 P17861 1/20 0.60
RAB9A P51151 1/20 0.60
KMT2A Q03164 1/20 0.60
HRH3 Q9Y5N1 2/20 0.59
KDM4E B2RXH2 2/20 0.58
LMNA P02545 2/20 0.58
GAA P10253 1/20 0.58
KCNJ1 P48048 3/20 0.51
KCNH2 Q12809 2/20 0.51
LTA4H P09960 1/20 0.51
PTGS1 P23219 1/20 0.51
PTGS2 P35354 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
TXNRD1 Q16881 1/20 0.51
LOX P28300 1/20 0.50
SIGMAR1 Q99720 1/20 0.49

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
SCHEMBL56319 0.80 LOX (0.57) ALDH1A1KMT2AHRH3LMNAGAA
SCHEMBL2921597 0.80 ESR1 (0.58) ALDH1A1KMT2AHRH3GAAKCNH2
SCHEMBL13604236 0.79 KMT2A (0.71) SMN1; SMN2ALDH1A1KMT2ALTA4HLOX
SCHEMBL4772036 0.78 KDM4E (0.90) SMN1; SMN2ALDH1A1MAPTKMT2AHRH3
SCHEMBL19126866 0.78 CA2 (0.59) ALDH1A1KMT2A
SCHEMBL2922255 0.78 ESR1 (0.56) ALDH1A1KMT2ALMNAGAALTA4H
SCHEMBL14476103 0.77 MEN1 (0.73) SMN1; SMN2ALDH1A1RAB9AKMT2ALTA4H
SCHEMBL7000216 0.77 KDM4E (0.92) SMN1; SMN2ALDH1A1MAPTRAB9AKMT2A
SCHEMBL3156570 0.76 HRH3 (0.97) HRH3KCNJ1KCNH2SIGMAR1
SCHEMBL914324 0.76 HRH3 (0.97) HRH3KCNJ1KCNH2SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0765307-B1 N ALPHA-2-(4-NITROPHENYLSULFONYL)ETHOXYCARBONYL-AMINO ACIDS HYUNDAI PHARM IND CO LTD (KR) 1999-10-20 EP disclosed
EP-0765307-A1 N ALPHA-2-(4-NITROPHENULSULFONYL)ETHOXYCARBONYL-AMINO ACIDS Hyundai Pharm. Ind. Co., Ltd. (KR) 1997-04-02 EP disclosed
US-5616788-A FOR SOLID PHASE PEPTIDE SYNTHESIS HYUNDAI PHARM. IND. CO., LTD. (KR) 1997-04-01 US disclosed
WO-1996025394-A1 Nα-2-(4-NITROPHENULSULFONYL)ETHOXYCARBONYL-AMINO ACIDS HYUNDAI PHARM. IND. CO., LTD. (KR) 1996-08-22 WO disclosed