SCHEMBL9433565

SCHEMBL9433565

COC(=O)c1cccnc1C1=C(C)NC(C)=CC1c1ccccc1Br

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.38
HSD17B10 Q99714 3/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 2/20 0.38
F2 P00734 1/20 0.38
CNR2 P34972 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
POLB P06746 1/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
MAP2K1 Q02750 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
PKM P14618 1/20 0.35
HTT P42858 1/20 0.35
ALDH1A1 P00352 6/20 0.34
HPGD P15428 2/20 0.34
RAB9A P51151 1/20 0.34
CASP1 P29466 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
SCHEMBL9434412 0.88 ALDH1A1 (0.40) KDM4EHSD17B10KMT2AMAPTF2
SCHEMBL9433808 0.85 SMN1; SMN2 (0.37) KDM4EHSD17B10MAPTCNR2TDP1
SCHEMBL9433910 0.84 KDM4E (0.44) KDM4EHSD17B10KMT2AMAPTF2
SCHEMBL9434181 0.82 NPSR1 (0.40) KDM4EHSD17B10MAPTCNR2TDP1
SCHEMBL9434685 0.81 CNR2 (0.39) KDM4EHSD17B10KMT2AMAPTF2
SCHEMBL9434131 0.81 CNR2 (0.34) KDM4EHSD17B10KMT2AMAPTCNR2
SCHEMBL9434708 0.80 CNR2 (0.38) KDM4EHSD17B10KMT2AMAPTCNR2
SCHEMBL9434354 0.80 CNR2 (0.38) KDM4EHSD17B10MAPTCNR2TDP1
SCHEMBL9434469 0.79 KDM4E (0.42) KDM4EHSD17B10KMT2ACNR2TDP1
SCHEMBL9433618 0.78 CACNA1B (0.38) KDM4EHSD17B10KMT2AMAPTCNR2

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
US-5276150-A Vasodilators, anticoagulants, calcium channel blockers FUJIREBIO INC. (JP) 1994-01-04 US disclosed
EP-0400660-A1 1,4-dihydropyridine derivatives FUJIREBIO INC. (JP) 1990-12-05 EP disclosed