SCHEMBL8876102

SCHEMBL8876102

Nc1cccc(COc2ccc3cc(C=C4SC(=O)NC4=O)ccc3c2)c1

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HPGD P15428 10/20 0.63
PTPN1 P18031 4/20 0.63
POLB P06746 1/20 0.63
MAOA P21397 1/20 0.63
MAOB P27338 1/20 0.63
AKR1B1 P15121 1/20 0.61
CNR1 P21554 1/20 0.60
HDAC4 P56524 2/20 0.55
HDAC8 Q9BY41 1/20 0.55
MMP3 P08254 1/20 0.53
MMP13 P45452 1/20 0.53

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
SCHEMBL8876094 1.00 HPGD (0.63) HPGDPTPN1POLBMAOAMAOB
SCHEMBL8876632 0.88 HPGD (0.81) HPGDPTPN1POLBMAOAMAOB
SCHEMBL8876624 0.88 HPGD (0.81) HPGDPTPN1POLBMAOAMAOB
SCHEMBL8877394 0.84 IGF1R (0.64) HPGDPTPN1POLBMAOAMAOB
SCHEMBL8876064 0.82 HPGD (0.65) HPGDPTPN1POLBMAOAMAOB
SCHEMBL8876071 0.82 HPGD (0.65) HPGDPTPN1POLBMAOAMAOB
SCHEMBL1248799 0.80 CNR1 (0.81) HPGDPTPN1POLBMAOAMAOB
SCHEMBL1248797 0.80 CNR1 (0.81) HPGDPTPN1POLBMAOAMAOB
SCHEMBL9433307 0.80 CNR1 (0.81) HPGDPTPN1POLBMAOAMAOB
SCHEMBL5448423 0.79 HPGD (0.73) HPGDPTPN1POLBMAOAMAOB

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