SCHEMBL3662904

SCHEMBL3662904

O=[N+]([O-])c1ccc(NCC(O)O)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.59
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
ALDH1A1 P00352 6/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
GLA P06280 2/20 0.50
RECQL P46063 1/20 0.50
HSD17B10 Q99714 1/20 0.50
LMNA P02545 1/20 0.49
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
MMP2 P08253 1/20 0.49
MMP9 P14780 1/20 0.49
MMP8 P22894 1/20 0.49
MMP14 P50281 1/20 0.49
PTPRF P10586 1/20 0.49
PTPN2 P17706 1/20 0.49
PTPN1 P18031 1/20 0.49
PTPN11 Q06124 1/20 0.49
HPGD P15428 1/20 0.48

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
SCHEMBL27952411 0.91 MAPT (0.50) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL8721723 0.91 PTGS2 (0.50) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL5157176 0.89 MAPT (0.59) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL9820267 0.86 MAPT (0.61) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL6001727 0.84 MAPT (0.54) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL4846637 0.83 MAPT (0.53) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL14157801 0.83 MAPT (0.53) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL4416351 0.82 MAPT (0.56) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL8635097 0.81 MAPT (0.65) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL9149907 0.81 ALDH1A1 (0.63) MAPTMEN1KMT2AALDH1A1SMN1; 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5225577-A Organic nonlinear optical material Ogata, Naoya (JP) 1993-07-06 US claimed
EP-2225293-A2 COPOLYMER AND OPHTHALMOLOGICAL COMPOSITION *Acri. Tec GmbH (DE) 2010-09-08 EP disclosed
WO-2009074520-A2 COPOLYMER AND OPHTHALMOLOGICAL COMPOSITION *ACRI.TEC GMBH (DE) 2009-06-18 WO disclosed
EP-0804413-B1 NITROGEN MUSTARD PRODRUGS WITH NOVEL LIPOPHILIC PROTECTING GROUPS, AND PROCESSES FOR THEIR PRODUCTION CANCER RES CAMPAIGN TECH (GB) 2000-05-17 EP disclosed
US-6005002-A Nitrogen mustard prodrugs with novel lipophilic protecting groups, and processes for their production CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1999-12-21 US disclosed
US-5225577-A Organic nonlinear optical material Ogata, Naoya (JP) 1993-07-06 US disclosed
US-5225577-A Organic nonlinear optical material Ogata, Naoya (JP) 1993-07-06 US disclosed
US-5112906-A ORGANIC NONLINEAR OPTICAL MATERIAL Ogata, Naoya (JP) 1992-05-12 US disclosed
US-5112906-A ORGANIC NONLINEAR OPTICAL MATERIAL Ogata, Naoya (JP) 1992-05-12 US disclosed