SCHEMBL27746196

SCHEMBL27746196

CCCCN1C(=O)c2cccc3c(-c4c[nH]nn4)ccc(c23)C1=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.55
KMT2A Q03164 6/20 0.55
POLB P06746 4/20 0.55
USP2 O75604 3/20 0.55
ATM Q13315 3/20 0.55
MAPT P10636 2/20 0.55
MAPK1 P28482 2/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
NPSR1 Q6W5P4 2/20 0.55
TLR9 Q9NR96 2/20 0.55
RGS12 O14924 1/20 0.55
HTT P42858 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
ALDH1A1 P00352 4/20 0.45
LMNA P02545 3/20 0.45
KDM4E B2RXH2 3/20 0.45
PABPC1 P11940 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
DYRK3 O43781 1/20 0.43

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
SCHEMBL19840190 0.76 MEN1 (0.66) MEN1KMT2APOLBUSP2ATM
SCHEMBL17576480 0.76 MEN1 (0.66) MEN1KMT2APOLBUSP2ATM
SCHEMBL20735101 0.76 MEN1 (0.62) MEN1KMT2APOLBUSP2ATM
SCHEMBL30534976 0.75 PRMT1 (0.68) MEN1KMT2APOLBUSP2ATM
SCHEMBL9437170 0.75 PRMT1 (0.68) MEN1KMT2APOLBUSP2ATM
SCHEMBL3891083 0.75 KMT2A (0.74) MEN1KMT2APOLBUSP2ATM
SCHEMBL18588698 0.75 MEN1 (0.64) MEN1KMT2APOLBUSP2ATM
SCHEMBL30499259 0.75 POLB (0.74) MEN1KMT2APOLBUSP2ATM
SCHEMBL6887733 0.75 ALDH1A1 (0.74) MEN1KMT2APOLBUSP2ATM
SCHEMBL3773566 0.75 POLB (0.74) MEN1KMT2APOLBUSP2ATM

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
CN-101284827-B Antineoplastic compounds containing triazole ring naphthoyl imines and method for preparing same UNIV DALIAN TECH 2010-12-08 CN disclosed
CN-101284827-A Antineoplastic compounds containing triazole ring naphthoyl imines and method for preparing same UNIV DALIAN TECH (CN) 2008-10-15 CN disclosed