SCHEMBL8299753

SCHEMBL8299753

O=C(Nc1cccnc1Cl)c1cccnc1Cl

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.68
NPC1 O15118 5/20 0.67
RAB9A P51151 4/20 0.67
SMN1; SMN2 Q16637 6/20 0.64
HTT P42858 4/20 0.64
HPGD P15428 2/20 0.64
GAA P10253 1/20 0.64
KDM4E B2RXH2 2/20 0.63
L3MBTL1 Q9Y468 2/20 0.63
RXFP1 Q9HBX9 1/20 0.63
POLB P06746 2/20 0.61
ALDH1A1 P00352 3/20 0.60
KMT2A Q03164 4/20 0.58
LMNA P02545 2/20 0.58
MAPT P10636 2/20 0.57
MEN1 O00255 2/20 0.57
RECQL P46063 1/20 0.57
CASP6 P55212 1/20 0.57
CTDSP1 Q9GZU7 1/20 0.57
ALOX12 P18054 1/20 0.56

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
SCHEMBL975125 0.89 SMN1; SMN2 (0.68) TDP1NPC1RAB9ASMN1; SMN2HTT
SCHEMBL29777389 0.89 SMN1; SMN2 (0.68) TDP1NPC1RAB9ASMN1; SMN2HTT
SCHEMBL9867402 0.89 KDR (0.70) TDP1NPC1RAB9ASMN1; SMN2HTT
SCHEMBL9844353 0.89 TDP1 (0.63) TDP1NPC1RAB9ASMN1; SMN2HTT
SCHEMBL29777391 0.89 SMN1; SMN2 (0.68) TDP1NPC1RAB9ASMN1; SMN2HTT
SCHEMBL11264182 0.87 SMN1; SMN2 (0.60) TDP1NPC1RAB9ASMN1; SMN2HTT
SCHEMBL8341671 0.87 POLB (0.63) TDP1NPC1RAB9ASMN1; SMN2HTT
SCHEMBL28035894 0.87 TDP1 (0.65) TDP1NPC1RAB9ASMN1; SMN2HTT
SCHEMBL1367306 0.87 TDP1 (0.65) TDP1NPC1RAB9ASMN1; SMN2HTT
SCHEMBL971803 0.86 TDP1 (0.64) TDP1NPC1RAB9ASMN1; 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0429987-B1 5,11-Dihydro-6H-dipyrido[3,2-b:2',3'-e] [1,4]diazepines and their use in the prevention or treatment of HIV infection BOEHRINGER INGELHEIM PHARMA (US) 1999-03-17 EP disclosed
US-5620974-A ENZYME INHIBITOR, TREATS ACQUIRED IMMUNE DEFICIENCY SYNDROME(AIDS) BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 1997-04-15 US disclosed
US-5366972-A 5,11-dihydro-6H-dipyrido(3,2-B:2',3'-E)(1,4)diazepines and their use in the prevention or treatment of HIV infection BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 1994-11-22 US disclosed
EP-0410148-B1 Novel 5,11-dihydro-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-ones and thiones and their use in the prevention or treatment of AIDS BOEHRINGER INGELHEIM PHARMA (US) 1994-04-06 EP disclosed
EP-0393529-B1 5,11-dihydro-6H-dipyrido [3,2-b:2',3'-e][1,4]diazepin-6-ones and their use in the prevention or treatment of AIDS Boehringer Ingelheim Pharmaceuticals Inc. (US) 1993-06-30 EP disclosed
EP-0429987-A2 5,11-Dihydro-6H-dipyrido[3,2-b:2',3'-e] [1,4]diazepines and their use in the prevention or treatment of HIV infection BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 1991-06-05 EP disclosed
EP-0410148-A1 Novel 5,11-dihydro-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-ones and thiones and their use in the prevention or treatment of AIDS Boehringer Ingelheim Pharmaceuticals Inc. (US) 1991-01-30 EP disclosed
EP-0393529-A1 5,11-dihydro-6H-dipyrido [3,2-b:2',3'-e][1,4]diazepin-6-ones and their use in the prevention or treatment of AIDS Boehringer Ingelheim Pharmaceuticals Inc. (US) 1990-10-24 EP disclosed