SCHEMBL20797804

SCHEMBL20797804

CCOCCNc1ccc(Br)c(F)c1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 12/20 0.37
ALDH1A1 P00352 5/20 0.37
RAB9A P51151 3/20 0.37
LMNA P02545 3/20 0.36
HCAR3 P49019 1/20 0.35
NPC1 O15118 2/20 0.34
PKM P14618 2/20 0.34
KAT2B Q92831 1/20 0.34
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
POLB P06746 4/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.33
AGTR1 P30556 1/20 0.33

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
SCHEMBL20797456 0.86 MAPT (0.40) PTGER4KMT2AMAPTALDH1A1RAB9A
SCHEMBL20797587 0.85 PTGER4 (0.56) PTGER4KMT2AMAPTALDH1A1RAB9A
SCHEMBL18322420 0.82 PTGER4 (0.45) PTGER4KMT2AMAPTALDH1A1LMNA
SCHEMBL20797612 0.81 MAPT (0.44) PTGER4KMT2AMAPTALDH1A1RAB9A
SCHEMBL20797692 0.79 KAT2B (0.47) PTGER4KMT2AMAPTALDH1A1RAB9A
SCHEMBL15060780 0.74 LMNA (0.51) PTGER4KMT2AMAPTALDH1A1RAB9A
SCHEMBL16738942 0.74 PTGER4 (0.38) PTGER4KMT2AMAPTALDH1A1RAB9A
SCHEMBL20797635 0.74 KMT2A (0.53) PTGER4KMT2AMAPTALDH1A1RAB9A
SCHEMBL20797675 0.74 KAT2B (0.44) PTGER4KMT2AMAPTALDH1A1RAB9A
SCHEMBL20797515 0.74 KMT2A (0.53) PTGER4KMT2AMAPTALDH1A1RAB9A

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
WO-2019049061-A1 5-(1 H-BENZO[D]IMIDAZO-2-YL)-PYRIDIN-2-AMINE AND 5-(3H-IMIDAZO[4,5-B]PYRIDIN-6-YL)-PYRIDIN-2-AMINE DERIVATIVES AS C-MYC AND P300/CBP HISTONE ACETYLTRANSFERASE INHIBITORS FOR TREATING CANCER GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-03-14 WO disclosed
WO-2019049061-A1 5-(1 H-BENZO[D]IMIDAZO-2-YL)-PYRIDIN-2-AMINE AND 5-(3H-IMIDAZO[4,5-B]PYRIDIN-6-YL)-PYRIDIN-2-AMINE DERIVATIVES AS C-MYC AND P300/CBP HISTONE ACETYLTRANSFERASE INHIBITORS FOR TREATING CANCER GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-03-14 WO disclosed