SCHEMBL8159449

SCHEMBL8159449

O=C1NC(=O)/C(=C\c2cccc(OCc3ccc(-c4ccccc4)cc3)c2)S1

nearest known ligand 0.81

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.81
CNR1 P21554 1/20 0.78
PTPN1 P18031 7/20 0.75
MMP13 P45452 1/20 0.69
ADAMTS5 Q9UNA0 1/20 0.69
POLB P06746 1/20 0.69
MAOA P21397 1/20 0.69
MAOB P27338 1/20 0.69
AKR1B1 P15121 2/20 0.65
IGF1R P08069 1/20 0.61
PIM1 P11309 1/20 0.60
PIM2 Q9P1W9 1/20 0.60

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
SCHEMBL8159450 1.00 HPGD (0.81) HPGDCNR1PTPN1MMP13ADAMTS5
SCHEMBL9433307 0.93 CNR1 (0.81) HPGDCNR1PTPN1MMP13ADAMTS5
SCHEMBL1248799 0.93 CNR1 (0.81) HPGDCNR1PTPN1MMP13ADAMTS5
SCHEMBL1248797 0.93 CNR1 (0.81) HPGDCNR1PTPN1MMP13ADAMTS5
SCHEMBL1299995 0.90 HPGD (1.00) HPGDPTPN1MMP13POLBMAOA
SCHEMBL12107587 0.90 HPGD (1.00) HPGDPTPN1MMP13POLBMAOA
SCHEMBL1299994 0.90 HPGD (1.00) HPGDPTPN1MMP13POLBMAOA
SCHEMBL8159453 0.87 HPGD (0.60) HPGDCNR1PTPN1MMP13ADAMTS5
SCHEMBL18504345 0.84 IDH1 (0.81) HPGDCNR1PTPN1MMP13ADAMTS5
SCHEMBL6923861 0.83 CNR1 (0.80) HPGDCNR1PTPN1MMP13ADAMTS5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2000511883-A 2000-09-12 JP claimed
US-6063800-A Modulators of molecules with phosphotyrosine recognition units NOVO NORDISK A/S (DK) 2000-05-16 US claimed
WO-1997040017-A2 MODULATORS OF MOLECULES WITH PHOSPHOTYROSINE RECOGNITION UNITS NOVO NORDISK A/S (DK) 1997-10-30 WO claimed
US-6080770-A SUBSTITUTED 1,2,3-TRIAZOLE OR 1,2,4-TRIAZOLE COMPOUND NOVO NORDISK A/S (DK) 2000-06-27 US disclosed
US-6063800-A Modulators of molecules with phosphotyrosine recognition units NOVO NORDISK A/S (DK) 2000-05-16 US disclosed
US-5972978-A FOR USE IN TREATMENT OF HUMAN AND ANIMAL DISORDERS, USE FOR PURIFICATION OF PROTEINS OR GLYCOPROTEINS, USE IN DIAGNOSIS NOVO NORDISK A/S (DK) 1999-10-26 US disclosed
US-5958957-A PROTEIN TYROSINE PHOSPHATASES, PROTEINS WITH SRC-MONOLOGY 2-DOMAINS; ANTICARCINOGENIC,-TUMOR AND DIABETIC AGENTS; PURIFICATION OF PROTEINS AND GLYCOPROTEINS; MEDICAL DIAGNOSIS NOVO NORDISK A/S (DK) 1999-09-28 US disclosed
WO-1997040017-A2 MODULATORS OF MOLECULES WITH PHOSPHOTYROSINE RECOGNITION UNITS NOVO NORDISK A/S (DK) 1997-10-30 WO disclosed