SCHEMBL8148705

SCHEMBL8148705

O=C1NC(=O)C(=Cc2ccc3c(c2)c2ccccc2n3Cc2ccc(-c3ccccc3)cc2)S1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.56
GAA P10253 1/20 0.56
SI P14410 1/20 0.56
MGAM2 Q2M2H8 1/20 0.56
HPGD P15428 3/20 0.55
PTPN1 P18031 3/20 0.51
PARP1 P09874 6/20 0.50
PIM1 P11309 2/20 0.50
PIM2 Q9P1W9 2/20 0.50
PIM3 Q86V86 1/20 0.50
GLS O94925 1/20 0.49
GLS2 Q9UI32 1/20 0.49
NAT1 P18440 1/20 0.49
MEN1 O00255 1/20 0.47
POLB P06746 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL8148703 1.00 MGAM (0.56) MGAMGAASIMGAM2HPGD
SCHEMBL8148710 0.87 MGAM (0.43) MGAMGAASIMGAM2HPGD
SCHEMBL97033 0.85 PIM1 (0.52) MGAMGAASIMGAM2HPGD
SCHEMBL97034 0.85 PIM1 (0.52) MGAMGAASIMGAM2HPGD
SCHEMBL97235 0.83 PARP1 (0.58) MGAMGAASIMGAM2HPGD
SCHEMBL97234 0.83 PARP1 (0.58) MGAMGAASIMGAM2HPGD
SCHEMBL1247641 0.82 PIM1 (0.54) HPGDPARP1PIM1PIM2PIM3
SCHEMBL1247642 0.82 PIM1 (0.54) HPGDPARP1PIM1PIM2PIM3
SCHEMBL12891939 0.82 PIM1 (0.54) HPGDPARP1PIM1PIM2PIM3
SCHEMBL8156486 0.79 PTGER4 (0.55) MEN1POLBKMT2A

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