SCHEMBL7955282

SCHEMBL7955282

O=C(Cl)OCCSc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.49
MAPT P10636 5/20 0.49
POLB P06746 1/20 0.49
IDO1 P14902 1/20 0.44
MAPK1 P28482 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
NR2F2 P24468 1/20 0.43
RAB9A P51151 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
USP2 O75604 1/20 0.43
CES1 P23141 1/20 0.41

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
SCHEMBL8746687 0.79 ALDH1A1 (0.64) ALDH1A1MAPTPOLBIDO1MAPK1
SCHEMBL5182834 0.78 TSHR (0.56) ALDH1A1MAPTIDO1CYP2C19MEN1
SCHEMBL7224442 0.77 ALDH1A1 (0.52) ALDH1A1MAPTPOLBIDO1CYP1A2
SCHEMBL18700362 0.76 TDP1 (0.43) ALDH1A1MAPTPOLBTDP1CYP1A2
SCHEMBL8683656 0.76 ALDH1A1 (0.57) ALDH1A1MAPTPOLBIDO1MAPK1
SCHEMBL5657641 0.76 MAPT (0.57) ALDH1A1MAPTPOLBIDO1MAPK1
SCHEMBL8342307 0.76 ALDH1A1 (0.52) ALDH1A1MAPTPOLBMAPK1TDP1
SCHEMBL11904034 0.76 ALDH1A1 (0.61) ALDH1A1MAPTPOLBIDO1MAPK1
SCHEMBL7297643 0.74 MAPT (0.58) ALDH1A1MAPTPOLBIDO1MAPK1
SCHEMBL9570633 0.74 MAPT (0.58) ALDH1A1MAPTPOLBIDO1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6265590-B1 NEW PROTECTED AMINO ACID DERIVATIVES USEFUL FOR PEPTIDE SYNTHESIS HYUNDAI PHARM, IND. CO., LTD. (KR) 2001-07-24 US claimed
EP-0934260-A1 N ALPHA-2-(4-NITROPHENYLSULFONYL)ETHOXYCARBONYL-AMINO ACIDS Hyundai Pharm. Ind. Co., Ltd. (KR) 1999-08-11 EP claimed
WO-1998017638-A1 Nα-2-(4-NITROPHENYLSULFONYL)ETHOXYCARBONYL-AMINO ACIDS HYUNDAI PHARM. IND. CO., LTD. (KR) 1998-04-30 WO claimed
US-6265590-B1 NEW PROTECTED AMINO ACID DERIVATIVES USEFUL FOR PEPTIDE SYNTHESIS HYUNDAI PHARM, IND. CO., LTD. (KR) 2001-07-24 US disclosed
EP-0934260-A1 N ALPHA-2-(4-NITROPHENYLSULFONYL)ETHOXYCARBONYL-AMINO ACIDS Hyundai Pharm. Ind. Co., Ltd. (KR) 1999-08-11 EP disclosed
WO-1998017638-A1 Nα-2-(4-NITROPHENYLSULFONYL)ETHOXYCARBONYL-AMINO ACIDS HYUNDAI PHARM. IND. CO., LTD. (KR) 1998-04-30 WO disclosed