SCHEMBL20797635

SCHEMBL20797635

CCOCCNc1ccc(F)cc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.53
MAPT P10636 10/20 0.52
ALDH1A1 P00352 5/20 0.52
RAB9A P51151 3/20 0.52
PTGER4 P35408 1/20 0.52
HCAR3 P49019 3/20 0.50
LMNA P02545 2/20 0.50
NPC1 O15118 2/20 0.49
PKM P14618 2/20 0.49
CRHBP P24387 1/20 0.49
CRHR2 Q13324 1/20 0.49
BCHE P06276 1/20 0.48
ACHE P22303 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
POLB P06746 2/20 0.47

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
SCHEMBL12210037 0.89 LMNA (0.50) KMT2AMAPTALDH1A1RAB9APTGER4
SCHEMBL932259 0.86 LMNA (0.68) KMT2AMAPTALDH1A1RAB9APTGER4
SCHEMBL4086159 0.84 HCAR3 (0.63) MAPTALDH1A1RAB9AHCAR3LMNA
SCHEMBL20797515 0.84 KMT2A (0.53) KMT2AMAPTALDH1A1RAB9APTGER4
SCHEMBL12210248 0.83 LMNA (0.56) KMT2AMAPTALDH1A1RAB9APTGER4
SCHEMBL20402081 0.83 MAPT (0.60) KMT2AMAPTALDH1A1RAB9APTGER4
SCHEMBL20797617 0.83 MAPT (0.50) KMT2AMAPTALDH1A1RAB9APTGER4
SCHEMBL4090213 0.81 HCAR3 (0.61) KMT2AMAPTALDH1A1HCAR3LMNA
SCHEMBL1170111 0.81 HCAR3 (0.66) MAPTALDH1A1RAB9AHCAR3LMNA
SCHEMBL25415582 0.81 MAPT (0.71) KMT2AMAPTALDH1A1RAB9APTGER4

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