SCHEMBL1295362

SCHEMBL1295362

[O-][n+]1cccc2c(F)cccc21

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.35
HTT P42858 2/20 0.35
HSP90AA1 P07900 1/20 0.35
GPR84 Q9NQS5 1/20 0.33
KDM4E B2RXH2 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MITF O75030 1/20 0.31
LMNA P02545 1/20 0.31
MAPK14 Q16539 1/20 0.30
CFTR P13569 1/20 0.30

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
SCHEMBL4072470 0.85 KDM4E (0.40) MAPTHTTHSP90AA1KDM4EMAPK14
SCHEMBL6827498 0.84 MAPT (0.38) MAPTHTTGPR84KDM4EMITF
SCHEMBL30873742 0.81 MAPT (0.46) MAPTHTTHSP90AA1GPR84KDM4E
SCHEMBL1747611 0.81 MAPT (0.46) MAPTHTTHSP90AA1GPR84KDM4E
SCHEMBL2798258 0.77 CYP1A2 (0.48) MAPTHTTHSP90AA1GPR84MAPK14
SCHEMBL1261956 0.77 ALDH1A1 (0.48) MAPTHTTHSP90AA1KDM4EMEN1
SCHEMBL12751165 0.77 MAPT (0.34) MAPTHTTHSP90AA1KDM4EMITF
SCHEMBL5800459 0.77 CYP1A2 (0.48) MAPTHTTHSP90AA1KDM4EHSD17B10
SCHEMBL4437293 0.77 MAPT (0.42) MAPTHTTHSP90AA1KDM4EMEN1
SCHEMBL10412502 0.76 HSP90AA1 (0.42) MAPTHTTHSP90AA1GPR84KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012084971-A1 INDOLE DERIVATIVES AS AGENTS AGAINST GRAM-NEGATIVE AND GRAM-POSITIVE BACTERIA CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2012-06-28 WO disclosed
US-20110269130-A1 Antibiotice Susceptibility Profiling Methods BECTON, DICKINSON AND COMPANY 2011-11-03 US disclosed
US-20100316677-A1 USE OF BAMBOO LEAF TOTAL FLAVONES IN THE PREPARATION OF MEDICINE AND HEALTH FOOD FOR PREVENTION AND TREATMENT OF PROSTATIC DISEASES ZHEJIANG UNIVERSITY (HANGZHOU) LEAF BIO-TECHNOLOGY CO., LTD. (CN) 2010-12-16 US disclosed
WO-2010048511-A1 ANTIBIOTIC SUSCEPTIBILITY PROFILING METHODS BECTON, DICKINSON AND COMPANY (US) 2010-04-29 WO disclosed