SCHEMBL8790773

SCHEMBL8790773

CN1c2ccccc2NC(=O)c2cccnc21

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.53
CYP1A2 P05177 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
CHRM2 P08172 4/20 0.51
LMNA P02545 2/20 0.51
USP2 O75604 1/20 0.51
ALDH1A1 P00352 1/20 0.51
CHRM4 P08173 1/20 0.51
CHRM5 P08912 1/20 0.51
CYP2D6 P10635 1/20 0.51
CHRM1 P11229 1/20 0.51
CHRM3 P20309 1/20 0.51
GMNN O75496 1/20 0.50
APEX1 P27695 1/20 0.50

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
SCHEMBL9174480 0.88 RAB9A (0.60) RAB9ACYP1A2SMN1; SMN2CHRM2LMNA
SCHEMBL8790717 0.82 RAB9A (0.53) RAB9ACYP1A2SMN1; SMN2CHRM2LMNA
SCHEMBL8790761 0.80 TTR (0.50) ALDH1A1
SCHEMBL7852676 0.79 CHEK1 (0.54) LMNAALDH1A1
SCHEMBL9596507 0.78 RAB9A (0.61) RAB9ACYP1A2CHRM2LMNAUSP2
SCHEMBL1364796 0.78 ALDH1A1 (0.62) RAB9ACYP1A2SMN1; SMN2CHRM2LMNA
SCHEMBL5937266 0.78 ALDH1A1 (0.66) RAB9ACYP1A2SMN1; SMN2ALDH1A1
SCHEMBL9369774 0.76 RAB9A (0.59) RAB9ACYP1A2CHRM2LMNAUSP2
SCHEMBL11750738 0.76 RAB9A (0.44) RAB9ACYP1A2SMN1; SMN2CHRM2LMNA
SCHEMBL4541695 0.75 RAB9A (0.72) RAB9ACYP1A2CHRM2LMNAUSP2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0393604-B1 6,11-Dihydro-5H-pyrido(2,3-b)(1,5,)benzodiazepin-5-ones and thiones and their use in the prevention or treatment of AIDS BOEHRINGER INGELHEIM PHARMA (US) 1997-12-29 EP disclosed
US-5571809-A The treatment of HIV-1 infection using certain pyridodiazepines BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 1996-11-05 US disclosed
EP-0393604-A2 6,11-Dihydro-5H-pyrido(2,3-b)(1,5,)benzodiazepin-5-ones and thiones and their use in the prevention or treatment of AIDS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 1990-10-24 EP disclosed