SCHEMBL7407472

SCHEMBL7407472

O=C(O)Cc1nc2cc(F)c(F)cc2[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 3/20 0.48
F10 P00742 1/20 0.48
PRKAG1 P54619 3/20 0.48
PRKAA2 P54646 3/20 0.48
PRKAB1 Q9Y478 3/20 0.48
PRKAA1 Q13131 1/20 0.48
KDM4E B2RXH2 2/20 0.46
PDE10A Q9Y233 1/20 0.45
APEX1 P27695 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HRH4 Q9H3N8 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40

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
SCHEMBL9513404 0.81 TSHR (0.47) F10PRKAG1PRKAA2PRKAB1PRKAA1
SCHEMBL38661086 0.81 IDO1 (0.59) EGLN1F10APEX1NPSR1ALDH1A1
SCHEMBL31716315 0.80 PRKAG1 (0.72) EGLN1F10PRKAG1PRKAA2PRKAB1
SCHEMBL31735460 0.80 MEN1 (0.60) EGLN1F10PRKAG1PRKAA2PRKAB1
SCHEMBL16810842 0.79 TDP1 (0.54) EGLN1F10PRKAG1PRKAA2PRKAB1
SCHEMBL20320868 0.78 TPH1 (0.45) EGLN1KDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL20495186 0.76 KDM4E (0.43) PRKAG1PRKAA2PRKAB1KDM4EALDH1A1
SCHEMBL12264335 0.75 GAA (0.62) F10KDM4EPDE10AALDH1A1CYP1A2
SCHEMBL22584708 0.75 CACNA1H (0.62) EGLN1F10KDM4EPDE10AALDH1A1
SCHEMBL1941487 0.75 PDE10A (0.49) F10PRKAG1PRKAA2PRKAB1PRKAA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1999026932-A1 BY AMIDINO GROUP SUBSTITUTED HETEROCYCLIC DERIVATIVES AND THEIR USE AS ANTICOAGULANTS AXYS PHARMACEUTICALS, INC. (US) 1999-06-03 WO disclosed