SCHEMBL3972529

SCHEMBL3972529

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
LY96 Q9Y6Y9 1/20 0.39
PTPN1 P18031 1/20 0.38
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA4 P22748 2/20 0.37
CA6 P23280 2/20 0.37
TUBB4A P04350 1/20 0.37
TUBB P07437 1/20 0.37
TUBA3C P0DPH7 1/20 0.37
TUBA1B P68363 1/20 0.37
TUBA4A P68366 1/20 0.37
TUBB4B P68371 1/20 0.37
TUBB3 Q13509 1/20 0.37
TUBB2A Q13885 1/20 0.37
TUBB8 Q3ZCM7 1/20 0.37

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
SCHEMBL4260662 0.81 PTPN1 (0.35) MEN1KMT2ALY96PTPN1CA1
SCHEMBL3972272 0.81 CA1 (0.38) PTPN1CA1CA2CA4CA6
SCHEMBL3973494 0.80 IDH1 (0.39) MEN1KMT2APOLBTDP1LY96
SCHEMBL3979067 0.79 PTPN1 (0.34) LY96PTPN1CA1CA2CA4
SCHEMBL3973824 0.78 HTR2A (0.36) TDP1LY96CA1CA2CA4
SCHEMBL3973213 0.77 HTR2A (0.42) MEN1KMT2ALMNAPOLB
SCHEMBL3977765 0.76 NPC1 (0.53) LMNAPOLBTDP1TUBB4ATUBB
SCHEMBL3973392 0.76 CA1 (0.35) PTPN1CA1CA2CA4CA6
SCHEMBL3974894 0.76 HTR2A (0.44) MEN1KMT2ALMNAPOLB
SCHEMBL3971360 0.76 ALDH1A1 (0.43) MEN1KMT2ALY96EGFR

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