SCHEMBL20797372

SCHEMBL20797372

CC(C)(C)OCCNc1ccc(Br)cc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 2/20 0.49
LMNA P02545 3/20 0.49
MAPT P10636 7/20 0.46
ALDH1A1 P00352 5/20 0.46
RAB9A P51151 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
NPC1 O15118 3/20 0.46
PTGER4 P35408 1/20 0.46
CYP1A2 P05177 1/20 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
KAT2B Q92831 2/20 0.44
POLB P06746 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43
PKM P14618 1/20 0.43
CRHBP P24387 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
SCHEMBL4003982 0.87 MAPT (0.51) HCAR3LMNAMAPTALDH1A1RAB9A
SCHEMBL15774731 0.85 LMNA (0.68) HCAR3LMNAMAPTALDH1A1RAB9A
SCHEMBL20797617 0.84 MAPT (0.50) HCAR3LMNAMAPTALDH1A1RAB9A
SCHEMBL20797515 0.83 KMT2A (0.53) HCAR3LMNAMAPTALDH1A1RAB9A
SCHEMBL20797693 0.81 MAPT (0.63) LMNAMAPTALDH1A1RAB9ASMN1; SMN2
SCHEMBL26324521 0.80 HCAR3 (0.63) HCAR3LMNAMAPTALDH1A1RAB9A
SCHEMBL20811133 0.80 MAPT (0.65) HCAR3LMNAMAPTALDH1A1RAB9A
SCHEMBL2144713 0.79 HCAR3 (0.45) HCAR3LMNAMAPTALDH1A1RAB9A
SCHEMBL20420152 0.78 KAT2B (0.49) HCAR3LMNAMAPTALDH1A1RAB9A
SCHEMBL2952066 0.78 MAPT (0.65) HCAR3LMNAMAPTALDH1A1RAB9A

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