SCHEMBL3354341

SCHEMBL3354341

Cc1nn(CC(=O)O)c2ccccc12

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.65
GLS O94925 1/20 0.57
LMNA P02545 2/20 0.55
NPSR1 Q6W5P4 2/20 0.52
RAB9A P51151 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
KDM4E B2RXH2 4/20 0.51
GLA P06280 1/20 0.51
ALOX15 P16050 1/20 0.51
ALDH1A1 P00352 2/20 0.50
HPGD P15428 2/20 0.50
HTT P42858 1/20 0.50
KMT2A Q03164 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
SCHEMBL6885992 0.83 LMNA (0.77) LMNANPSR1RAB9ASMN1; SMN2ALOX15
SCHEMBL29427445 0.81 GAA (0.55) HSD17B10GLSLMNARAB9ASMN1; SMN2
SCHEMBL14631512 0.81 HSD17B10 (0.67) HSD17B10LMNASMN1; SMN2KDM4EGLA
SCHEMBL3905353 0.81 HSD17B10 (0.67) HSD17B10LMNASMN1; SMN2KDM4EGLA
SCHEMBL12481560 0.81 HSD17B10 (0.61) HSD17B10LMNASMN1; SMN2KDM4EGLA
SCHEMBL29781847 0.81 HSD17B10 (0.61) HSD17B10LMNASMN1; SMN2KDM4EGLA
SCHEMBL31481214 0.80 HSD17B10 (0.65) HSD17B10LMNASMN1; SMN2KDM4EGLA
SCHEMBL28726087 0.80 HSD17B10 (0.65) HSD17B10LMNANPSR1SMN1; SMN2KDM4E
SCHEMBL1552773 0.80 POLB (0.56) GLSLMNAKDM4EKMT2A
SCHEMBL18967254 0.79 GLS (0.52) HSD17B10GLSLMNANPSR1RAB9A

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
WO-2022064453-A1 NEMATOCIDAL COMPOUNDS AND USE THEREOF PI INDUSTRIES LTD. (IN) 2022-03-31 WO disclosed
US-9688662-B2 N-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)-4-quinazolinamine and N-(2,3-dihydro-1H-indol-5-yl)-4-quinazolinamine derivatives as perk inhibitors JANSSEN PHARMACEUTICA NV (BE) 2017-06-27 US disclosed
US-9688662-B2 N-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)-4-quinazolinamine and N-(2,3-dihydro-1H-indol-5-yl)-4-quinazolinamine derivatives as perk inhibitors JANSSEN PHARMACEUTICA NV (BE) 2017-06-27 US disclosed
EP-2989091-B1 NOVEL N-(2,3-DIHYDRO-1H-PYRROLO[2,3-B]PYRIDIN-5-YL)-4- QUINAZOLINAMINE AND N-(2,3-DIHYDRO-1H-INDOL-5-YL)-4- QUINAZOLINAMINE DERIVATIVES AS PERK INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2017-05-10 EP disclosed
WO-2014161808-A1 NOVEL N-(2,3-DIHYDRO-1H-PYRROLO[2,3-B]JPYRIDIN-5-YL)-4- QUINAZOLINAMINE AND N-(2,3-DIHYDRO-1H-INDOL-5-YL)-4- QUINAZOLINAMINE DERIVATIVES AS PERK INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2014-10-09 WO disclosed
WO-2010067233-A1 1,2,4 TRIAZOLO [4, 3 -A] [1,5] BENZODIAZEPIN-5 (6H) -ONES AS AGONISTS OF THE CHOLECYSTOKININ-1 RECEPTOR (CCK-IR) PFIZER INC. (US) 2010-06-17 WO disclosed