SCHEMBL9799093

SCHEMBL9799093

CNC(=O)N1CCCc2ccccc21

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.69
SMN1; SMN2 Q16637 4/20 0.68
TSHR P16473 2/20 0.65
POLB P06746 1/20 0.65
RECQL P46063 1/20 0.65
MAPT P10636 2/20 0.63
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
LMNA P02545 1/20 0.60
ALDH1A1 P00352 2/20 0.59
MAPK1 P28482 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
SIGMAR1 Q99720 1/20 0.58
HPGD P15428 1/20 0.57
HTT P42858 1/20 0.57
NPC1 O15118 1/20 0.57
RAB9A P51151 1/20 0.57

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
SCHEMBL30204132 1.00 NOTUM (0.69) NOTUMSMN1; SMN2TSHRPOLBRECQL
SCHEMBL4867294 0.95 NOTUM (0.62) NOTUMSMN1; SMN2TSHRPOLBRECQL
SCHEMBL9799445 0.90 NPC1 (0.67) NOTUMSMN1; SMN2TSHRPOLBMAPT
SCHEMBL29082763 0.85 SMN1; SMN2 (0.70) NOTUMSMN1; SMN2TSHRPOLBRECQL
SCHEMBL4400998 0.84 SMN1; SMN2 (0.73) NOTUMSMN1; SMN2TSHRPOLBRECQL
SCHEMBL22868259 0.83 MAPT (0.66) NOTUMSMN1; SMN2TSHRPOLBRECQL
SCHEMBL4401076 0.82 NOTUM (0.61) NOTUMSMN1; SMN2TSHRPOLBMEN1
SCHEMBL709869 0.81 NOTUM (1.00) NOTUMSMN1; SMN2TSHRPOLBMAPT
SCHEMBL29510859 0.81 NOTUM (1.00) NOTUMSMN1; SMN2TSHRPOLBMAPT
SCHEMBL28676890 0.81 SMN1; SMN2 (0.64) NOTUMSMN1; SMN2TSHRPOLBRECQL

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-5041154-A Benzoxazine compounds useful as herbicides UBE INDUSTRIES, LTD. (JP) 1991-08-20 US disclosed
EP-0196570-B1 BENZOAXAZINE DERIVATIVES AND HERBICIDAL COMPOSITION UBE INDUSTRIES, LTD. (JP) 1990-06-13 EP disclosed
EP-0196570-A1 Benzoaxazine derivatives and herbicidal composition UBE INDUSTRIES, LTD. (JP) 1986-10-08 EP disclosed