SCHEMBL9720114

SCHEMBL9720114

Nc1c(C(=O)c2ccc(F)cc2)oc2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 1.00
NPC1 O15118 8/20 0.77
KMT2A Q03164 3/20 0.77
SMN1; SMN2 Q16637 7/20 0.74
RAB9A P51151 5/20 0.74
AHR P35869 2/20 0.74
POLB P06746 1/20 0.74
KDM4E B2RXH2 3/20 0.68
HPGD P15428 2/20 0.68
TDP1 Q9NUW8 2/20 0.68
MEN1 O00255 2/20 0.68
ALDH1A1 P00352 1/20 0.68
MAPK1 P28482 3/20 0.61
TP53 P04637 3/20 0.60
RXFP1 Q9HBX9 2/20 0.60
TSHR P16473 4/20 0.57
CASP7 P55210 1/20 0.57
CASP1 P29466 2/20 0.55
ADORA2A P29274 1/20 0.55
MAPK10 P53779 1/20 0.54

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
SCHEMBL429754 0.87 MAPT (1.00) MAPTNPC1KMT2ASMN1; SMN2RAB9A
SCHEMBL1869991 0.85 NPC1 (1.00) MAPTNPC1KMT2ASMN1; SMN2RAB9A
SCHEMBL30979841 0.85 MAPT (1.00) MAPTNPC1KMT2ASMN1; SMN2RAB9A
SCHEMBL30979845 0.85 MAPT (1.00) MAPTNPC1KMT2ASMN1; SMN2RAB9A
SCHEMBL16794821 0.82 MAPT (0.77) MAPTNPC1KMT2ASMN1; SMN2RAB9A
SCHEMBL30608264 0.82 MAPT (0.69) MAPTNPC1KMT2ASMN1; SMN2RAB9A
SCHEMBL8805009 0.81 MAPT (1.00) MAPTNPC1KMT2ASMN1; SMN2RAB9A
SCHEMBL13102577 0.80 NPC1 (0.73) MAPTNPC1KMT2ASMN1; SMN2RAB9A
SCHEMBL13515767 0.78 MAPT (0.76) MAPTNPC1KMT2ARAB9AAHR
SCHEMBL16794816 0.75 MAPT (0.71) MAPTNPC1KMT2ASMN1; SMN2RAB9A

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
US-5140024-A Thienofuro- or thienodiazepines and pyridofuro- or thienodizsepines; antisecretory and -inflammatory agents; gastrointestinal disorders DUPHAR INTERNATIONAL RESEARCH B.V. (NL) 1992-08-18 US disclosed
US-4985423-A New 1,4-diazepine derivatives having anit-ulcer activity DUPHAR INTERNATIONAL RESEARCH B.V. (NL) 1991-01-15 US disclosed
EP-0350131-A2 New 1,4-diazepine derivatives having anti-ulcer activity DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1990-01-10 EP disclosed