SCHEMBL8877394

SCHEMBL8877394

O=C1NC(=O)C(=Cc2ccc3cc(OCc4cccc([N+](=O)[O-])c4)ccc3c2)S1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 1/20 0.64
ALDH1A1 P00352 1/20 0.62
MAPT P10636 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
HDAC4 P56524 3/20 0.61
HDAC8 Q9BY41 3/20 0.61
PPARG P37231 1/20 0.61
HPGD P15428 7/20 0.58
PTPN1 P18031 3/20 0.58
POLB P06746 1/20 0.58
MAOA P21397 1/20 0.58
MAOB P27338 1/20 0.58
IDH1 O75874 1/20 0.58
XDH P47989 1/20 0.58
CNR1 P21554 1/20 0.56
GSK3B P49841 1/20 0.52

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
SCHEMBL8876624 0.84 HPGD (0.81) HDAC4HDAC8HPGDPTPN1POLB
SCHEMBL8876632 0.84 HPGD (0.81) HDAC4HDAC8HPGDPTPN1POLB
SCHEMBL8876102 0.84 HPGD (0.63) HDAC4HDAC8HPGDPTPN1POLB
SCHEMBL8876094 0.84 HPGD (0.63) HDAC4HDAC8HPGDPTPN1POLB
SCHEMBL18504345 0.83 IDH1 (0.81) IGF1RHPGDPTPN1POLBMAOA
SCHEMBL1250305 0.80 HPGD (0.74) ALDH1A1MAPTHPGDPTPN1POLB
SCHEMBL1250306 0.80 HPGD (0.74) ALDH1A1MAPTHPGDPTPN1POLB
SCHEMBL13846818 0.79 IGF1R (1.00) IGF1RALDH1A1MAPTHPGDPOLB
SCHEMBL1250598 0.79 IGF1R (1.00) IGF1RALDH1A1MAPTHPGDPOLB
SCHEMBL1250596 0.79 IGF1R (1.00) IGF1RALDH1A1MAPTHPGDPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5594016-A ANTIDIABETIC AGENTS MITSUBISHI CHEMICAL CORPORATION (JP) 1997-01-14 US disclosed
EP-0604983-B1 Naphthalene derivatives MITSUBISHI CHEM CORP (JP) 1996-11-20 EP disclosed
EP-0604983-A1 Naphthalene derivatives Mitsubishi Chemical Corporation (JP) 1994-07-06 EP disclosed