SCHEMBL3411955

SCHEMBL3411955

COC(=O)c1cc(F)cc2nn(-c3ccc(C#N)cc3)c(CCNCc3ccc(OC)cc3OC)c12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
THRB P10828 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
APLNR P35414 1/20 0.36
CHEK1 O14757 2/20 0.36
NR2F2 P24468 1/20 0.36
DPP7 Q9UHL4 1/20 0.36
POLB P06746 1/20 0.36
BLM P54132 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MAPT P10636 2/20 0.36
TP53 P04637 1/20 0.36
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35

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
SCHEMBL3411891 0.90 CYP1A2 (0.42) HTR2AHTR2CTHRBMEN1KMT2A
SCHEMBL3414060 0.79 MAPT (0.48) THRBDPP7MAPTTP53
SCHEMBL3434016 0.78 KDM4E (0.38) THRBMEN1KMT2ATDP1TP53
SCHEMBL3412105 0.75 KDM4E (0.39) THRBTDP1TP53
SCHEMBL6524011 0.73 MAPT (0.48) THRBKMT2ADPP7MAPTTP53
SCHEMBL3416155 0.69 KDM4E (0.39) THRBMEN1KMT2AMAPTTP53
SCHEMBL3416157 0.69 KDM4E (0.39) THRBMEN1KMT2AMAPTTP53
SCHEMBL6522834 0.69 EGLN1 (0.42) TSHRP2RX7
SCHEMBL6515904 0.66 CYP11B1 (0.35) MEN1KMT2ATDP1MAPTALDH1A1
SCHEMBL3413163 0.65 CA12 (0.41) THRBMEN1KMT2AMAPTTP53

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
EP-2265611-A1 TRICYCLIC DERIVATIVES AS INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) Istituto Di Ricerche Di Biologia Molecolare P. Angeletti S.P.A. (IT) 2010-12-29 EP disclosed
WO-2009112832-A1 TRICYCLIC DERIVATIVES AS INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2009-09-17 WO disclosed