SCHEMBL8301115

SCHEMBL8301115

CN(C(=O)c1cccnc1Cl)c1cccnc1Cl

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
POLB P06746 3/20 0.42
EGFR P00533 2/20 0.42
NPC1 O15118 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
KMT2A Q03164 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
HTT P42858 1/20 0.40
GFER P55789 1/20 0.40

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
SCHEMBL8341101 0.89 LMNA (0.46) LMNASMN1; SMN2POLBEGFRKMT2A
SCHEMBL23367894 0.88 LMNA (0.49) LMNASMN1; SMN2POLBEGFR
SCHEMBL21652161 0.84 LMNA (0.45) LMNASMN1; SMN2POLBEGFRNPC1
SCHEMBL13153076 0.84 TDP1 (0.43) LMNASMN1; SMN2EGFRL3MBTL1KMT2A
SCHEMBL3088778 0.84 GPBAR1 (0.46) LMNASMN1; SMN2KMT2A
SCHEMBL2201670 0.83 SMN1; SMN2 (0.61) LMNASMN1; SMN2POLBEGFRNPC1
SCHEMBL3096310 0.83 KDM4E (0.47) LMNASMN1; SMN2NPC1CYP1A2CYP2C9
SCHEMBL12300200 0.83 POLB (0.64) LMNASMN1; SMN2POLBEGFRNPC1
SCHEMBL15204972 0.81 SMN1; SMN2 (0.50) LMNASMN1; SMN2POLBNPC1CYP1A2
SCHEMBL8336628 0.81 SMN1; SMN2 (0.39) LMNASMN1; SMN2POLBEGFRRXFP1

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 6 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-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-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