SCHEMBL9684971

SCHEMBL9684971

Nc1ccc(Cl)cc1C(=O)c1cnc[nH]1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.57
RECQL P46063 1/20 0.51
SMN1; SMN2 Q16637 4/20 0.50
NPC1 O15118 2/20 0.50
TP53 P04637 2/20 0.50
RAB9A P51151 2/20 0.50
KMT2A Q03164 2/20 0.50
FADS1 O60427 1/20 0.43
KDM4E B2RXH2 1/20 0.42
CYP1A2 P05177 1/20 0.42
MAPT P10636 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
GAA P10253 1/20 0.42
NOS2 P35228 1/20 0.41
GCK P35557 1/20 0.39
GFER P55789 1/20 0.39

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
SCHEMBL9686336 0.81 ALDH1A1 (0.49) IDO1SMN1; SMN2NPC1TP53RAB9A
SCHEMBL9686196 0.77 MAPT (0.61) IDO1RECQLSMN1; SMN2NPC1RAB9A
SCHEMBL9540049 0.77 RECQL (0.79) RECQLSMN1; SMN2NPC1TP53RAB9A
SCHEMBL9519121 0.77 RECQL (0.51) IDO1RECQLSMN1; SMN2NPC1RAB9A
SCHEMBL9685958 0.75 RECQL (0.53) IDO1RECQLSMN1; SMN2NPC1RAB9A
SCHEMBL7507358 0.74 GAA (0.55) IDO1SMN1; SMN2NPC1TP53RAB9A
SCHEMBL9686216 0.74 SMN1; SMN2 (0.55) SMN1; SMN2NPC1TP53RAB9AKMT2A
SCHEMBL28060 0.72 RECQL (0.57) RECQLSMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL31366630 0.72 RECQL (0.57) RECQLSMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL28232 0.72 CCR9 (0.58) RECQLSMN1; SMN2NPC1RAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0491218-A1 Benzodiazepinones F. HOFFMANN-LA ROCHE AG (CH) 1992-06-24 EP disclosed