SCHEMBL7701142

SCHEMBL7701142

O=C(OC(F)(C(F)F)C(F)(F)F)c1c2ccccc2nc2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
GAA P10253 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
PDE10A Q9Y233 3/20 0.38
KDM4E B2RXH2 5/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
POLB P06746 2/20 0.36
MAPT P10636 1/20 0.36
GLA P06280 3/20 0.36
DHODH Q02127 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.36
ATM Q13315 1/20 0.36
ELANE P08246 3/20 0.35
TSHR P16473 1/20 0.35
EDNRA P25101 1/20 0.34
PKM P14618 1/20 0.34

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
SCHEMBL8169360 0.90 DHODH (0.42) ALDH1A1DHODH
SCHEMBL7698327 0.89 PLA2G2A (0.42) GAAALDH1A1POLBDHODH
SCHEMBL7703694 0.87 KDM4E (0.41) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL38662579 0.79 MEN1 (0.48) MEN1KMT2AGAANPC1RAB9A
SCHEMBL8169049 0.79 KDM4E (0.43) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL7701145 0.78 GABRA1 (0.46) MEN1KMT2AGAANPC1RAB9A
SCHEMBL4763668 0.77 LMNA (0.45) KMT2AALDH1A1POLBMAPTSMN1; SMN2
SCHEMBL7702922 0.76 PDE3B (0.41) MEN1KMT2APDE10AKDM4EALDH1A1
SCHEMBL7706778 0.72 PLA2G2A (0.46) GAAKDM4EALDH1A1POLBDHODH
SCHEMBL2991023 0.72 MEN1 (0.42) MEN1KMT2AGAANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0915851-B1 DIBENZODIHYDROPYRIDINECARBOXYLIC ESTERS AND THEIR USE IN CHEMILUMINESCENT ASSAY METHODS NEDERLANDEN STAAT (NL) 2002-03-20 EP disclosed
US-6030803-A FOR USE AS SUBSTRATE IN PEROXIDASE ASSAYS; ALPHA-CARBON ATOM OF THE ESTER ALKYL GROUP IS AN ALIPHATIC CARBON ATOM DE STAAT DER NEDERLANDEN, VERTEGENWOORDIGD DOOR DE MINISTER VAN WELZIJN, VOLKSGESZONHEID EN CULTUUR (NL) 2000-02-29 US disclosed