SCHEMBL3974440

SCHEMBL3974440

COc1cc2c(c(Br)c1OC)CN(Cc1ccsc1)C2=O

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
P2RX7 Q99572 1/20 0.37
MEN1 O00255 5/20 0.36
KMT2A Q03164 5/20 0.36
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HTT P42858 1/20 0.36
HCRTR1 O43613 1/20 0.34
GAA P10253 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA4 P22748 1/20 0.34
CA6 P23280 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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 0.85 MAPT (0.43) ALDH1A1MEN1KMT2ASMN1; SMN2HCRTR1
SCHEMBL3980428 0.83 GAA (0.40) MEN1KMT2ALMNASMN1; SMN2HTT
SCHEMBL447466 0.80 ALDH1A1 (0.41) ALDH1A1MEN1KMT2ASMN1; SMN2TDP1
SCHEMBL448440 0.79 MEN1 (0.44) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL3972272 0.79 CA1 (0.38) ALDH1A1GAACA1CA2CA4
SCHEMBL3973411 0.76 CNR2 (0.45) ALDH1A1
SCHEMBL3973494 0.76 IDH1 (0.39) ALDH1A1MEN1KMT2ASMN1; SMN2GAA
SCHEMBL3973392 0.75 CA1 (0.35) CA1CA2CA4CA6
SCHEMBL3973824 0.74 HTR2A (0.36) ALDH1A1SMN1; SMN2CA1CA2CA4
SCHEMBL743175 0.73 MAPK14 (0.39) MEN1KMT2ALMNASMN1; SMN2HTT

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