SCHEMBL3980428

SCHEMBL3980428

COc1cc2c(c(Br)c1OC)CN(Cc1ccncc1)C2=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.40
LMNA P02545 3/20 0.39
POLB P06746 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CREBBP Q92793 1/20 0.38
DHPS P49366 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
IDH1 O75874 1/20 0.38
PDE4B Q07343 2/20 0.38
ROCK2 O75116 1/20 0.37
ROCK1 Q13464 1/20 0.37
CYP19A1 P11511 1/20 0.37
HCRTR1 O43613 1/20 0.37
HTT P42858 1/20 0.36
PDE4A P27815 1/20 0.36

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
SCHEMBL3975612 0.88 MAPT (0.43) GAAMEN1KMT2ASMN1; SMN2DHPS
SCHEMBL447466 0.83 ALDH1A1 (0.41) TDP1MEN1KMT2ASMN1; SMN2HDAC1
SCHEMBL3974440 0.83 ALDH1A1 (0.39) GAALMNATDP1MEN1KMT2A
SCHEMBL448440 0.82 MEN1 (0.44) GAALMNAMEN1KMT2ASMN1; SMN2
SCHEMBL3972272 0.80 CA1 (0.38) GAAIDH1
SCHEMBL3973411 0.77 CNR2 (0.45)
SCHEMBL3973494 0.77 IDH1 (0.39) GAAPOLBTDP1MEN1KMT2A
SCHEMBL3973392 0.76 CA1 (0.35)
SCHEMBL3973824 0.75 HTR2A (0.36) TDP1SMN1; SMN2
SCHEMBL449975 0.74 HDAC1 (0.61) HDAC4HDAC1HDAC6

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-2009051417-A2 PHENANTHRENE LACTAM DERIVATIVES HAVING ANTICANCER ACTIVITY AND METHOD FOR THE PREPARATION THEREOF KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2009-04-23 WO disclosed