SCHEMBL8604756

SCHEMBL8604756

O=C(OCOCc1cccnc1)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.55
RAB9A P51151 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
NAMPT P43490 1/20 0.50
ALDH1A1 P00352 4/20 0.49
HTR2A P28223 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
POLB P06746 1/20 0.47
HTT P42858 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
HSD11B1 P28845 1/20 0.43
ATM Q13315 1/20 0.43
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL1126283 0.91 MAPT (0.60) MAPTRAB9ANPSR1NAMPTALDH1A1
SCHEMBL7362981 0.81 MAPT (0.73) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL8605623 0.79 MAPT (0.52) MAPTRAB9ANPSR1NAMPTALDH1A1
SCHEMBL10938949 0.78 MAPT (0.62) MAPTRAB9ANPSR1NAMPTALDH1A1
SCHEMBL4008207 0.78 MAPT (0.74) MAPTRAB9ANPSR1NAMPTMEN1
SCHEMBL12736161 0.78 MAPT (0.72) MAPTRAB9ANPSR1ALDH1A1MEN1
SCHEMBL24636716 0.76 MAPT (0.60) MAPTRAB9ANPSR1NAMPTALDH1A1
SCHEMBL1972455 0.75 HTR2A (0.67) MAPTRAB9ANPSR1ALDH1A1HTR2A
SCHEMBL1568902 0.75 NAMPT (0.65) MAPTNAMPTALDH1A1POLBHTT
SCHEMBL1714950 0.75 HTR2A (0.70) MAPTRAB9AALDH1A1HTR2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5789595-A ANTICOAGULANTS TERUMO KABUSHIKI KAISHA (JP) 1998-08-04 US disclosed
EP-0790247-A1 TETRAHYDROISOQUINOLINE DERIVATIVE AND MEDICINAL PREPARATION CONTAINING THE SAME TERUMO KABUSHIKI KAISHA (JP) 1997-08-20 EP disclosed
EP-0167451-B1 A NEW PROCESS FOR PREPARING NOVEL N-(ACYLOXY-ALKOXY) CARBONYL DERIVATIVES USEFUL AS BIOREVERSIBLE PRODRUG MOIETIES FOR PRIMARY AND SECONDARY AMINE FUNCTIONS IN DRUGS MERCK & CO. INC. (US) 1990-10-03 EP disclosed
US-4916230-A Process for preparing novel N-(acyloxy-alkoxy)carbonyl derivatives useful as bioreversible prodrug moieties for primary and secondary amine functions in drugs MERCK & CO., INC. (US) 1990-04-10 US disclosed
EP-0167451-A2 A new process for preparing novel N-(acyloxy-alkoxy) carbonyl derivatives useful as bioreversible prodrug moieties for primary and secondary amine functions in drugs MERCK & CO. INC. (US) 1986-01-08 EP disclosed