SCHEMBL8139304

SCHEMBL8139304

COC(=O)c1ccc2cccnc2c1N

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.56
EGLN1 Q9GZT9 8/20 0.54
ALDH1A1 P00352 3/20 0.52
LMNA P02545 1/20 0.51
SLC40A1 Q9NP59 1/20 0.51
PARP1 P09874 1/20 0.49
MAP2K1 Q02750 1/20 0.47
ALOX15 P16050 1/20 0.47
HTT P42858 1/20 0.47
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL244112 0.84 EGLN1 (0.68) KDM4EEGLN1ALDH1A1
SCHEMBL3502575 0.84 KDM4E (0.56) KDM4EEGLN1ALDH1A1LMNASLC40A1
SCHEMBL12020192 0.83 KDM4E (0.55) KDM4EEGLN1ALDH1A1SLC40A1MAP2K1
SCHEMBL25985620 0.83 KDM4E (0.55) KDM4EEGLN1ALDH1A1SLC40A1MAP2K1
SCHEMBL11973430 0.82 LMNA (0.56) KDM4EEGLN1ALDH1A1LMNAPARP1
SCHEMBL344528 0.82 ALDH1A1 (0.65) KDM4EEGLN1ALDH1A1LMNASLC40A1
SCHEMBL16383149 0.80 ALDH1A1 (0.70) KDM4EEGLN1ALDH1A1LMNAPARP1
SCHEMBL16131034 0.80 SLC40A1 (0.53) KDM4EEGLN1ALDH1A1LMNASLC40A1
SCHEMBL28484520 0.79 KDM4E (0.48) KDM4EALDH1A1LMNAPARP1
SCHEMBL13515356 0.79 KDM4E (0.47) KDM4EEGLN1ALDH1A1SLC40A1MAP2K1

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
CN-112079832-A Medicine for treating hysteromyoma and preparation method thereof 黑龙江中医药大学 2020-12-15 CN disclosed
WO-2017123482-A1 DIHYDROPYRIDO QUINAZOLINE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME CORP. (US) 2017-07-20 WO disclosed
WO-2017123482-A1 DIHYDROPYRIDO QUINAZOLINE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME CORP. (US) 2017-07-20 WO disclosed
US-7470794-B2 Preparation and use of ortho-sulfonamido aryl hydroxamic acids as matrix metalloproteinase inhibitors WYETH (US) 2008-12-30 US disclosed
EP-0808318-B1 TRICYCLIC SUBSTITUTED HEXAHYDROBENZ[E]ISOINDOLE ALPHA-1 ADRENERGIC ANTAGONISTS ABBOTT LAB (US) 2000-06-28 EP disclosed
EP-0808318-A1 TRICYCLIC SUBSTITUTED HEXAHYDROBENZ E]ISOINDOLE ALPHA-1 ADRENERGIC ANTAGONISTS Abbott Laboratories (US) 1997-11-26 EP disclosed
US-5597823-A TREATING BENIGN PROSTATIC HYPERPLASIA ABBOTT LABORATORIES (US) 1997-01-28 US disclosed
WO-1996022992-A1 TRICYCLIC SUBSTITUTED HEXAHYDROBENZ[E]ISOINDOLE ALPHA-1 ADRENERGIC ANTAGONISTS ABBOTT LABORATORIES (US) 1996-08-01 WO disclosed